Apr 2019: YT gave an invited talk at the symposium ES04 “Solid-State Electrochemical Energy Storage”, organised by Prof. Jeff Sakamoto (U Michigan), Prof. J. Rupp (MIT), Prof. J. Janek (U. Giessen), & Dr. K. Takada (NIMS), in 2019 MRS SPRING MEETING & EXHIBIT.[ Photo: At the invited speakers dinner]
Apr 2019: Prof Michiel Sprik (Univ. Cambridge) visited the IFCS group and had intensive discussion about computational studies on interface issues. Prof. Osamu Sugino (Univ. Tokyo) and Dr. Minoru Otani (AIST) kindly joined us. [Photo: Prof. M. Sprik, Prof. O. Sugino, Dr. M. Otani and the group members.]
Apr 2019: We had a group lunch under cherry blossoms in full bloom (in NIMS). [Photo: the group members and friends.]
Apr 2019: AI gave a contributed talk in 2019 ACS Spring meeting in Florida, USA.
Mar 2019: We had a farewell party for Dr. Shota Iizuka, Dr. Hussein Assadi, Dr. Takao Tsuneda and Dr. Andrey Lyalin. We appreciate their great contributions so far.
Mar 2019: YT gave an invited talk in International Symposium on Diamond Electrochemistry held in Keio University. This is organised by Prof. Y. Einaga and JST-ACCEL.
Mar 2019: RJ, BG and YS gave contributed talks in 2019 APS meeting (Boston, MA, USA).
Feb 2019: YT gave an selected talk in the 1st R-CCS International Symposium held in Kobe, organised by R-CCS, RIKEN.
Jan 2019: YT played a panelist in a post-K workshop organised by HPC Consortium & RIST in Tokyo.
Jan 2019: YT gave an invited talk in CSW2019, held in Tokyo, organised by AIST FDMat, and had interesting discussions with Prof. Roberto Car, Prof. Hardy Gross, Prof. Michele Pavanello, Prof. Steven G. Louie, Prof. Hirofumi Sato, and Dr. Yoshi Minamoto [Photo: with the invited speakers on a SUMO circle.]
Dec 2018: YT, RJ, GS attended ESICB Gassyuku meeting held in Hamamatsu, and had a variety of discussions.
Dec 2018: YT, RJ, AI, AC & XG attended annual symposium of the post-K priority area No. 5. RJ gave an invited talk, and AC & XG gave poster presentations as well as YT provide a reporting talk. Prof. I. Hamada and Prof. K. Akagi in Tateyama team kindly participated in as well.
Dec 2018: We had a farewell party for Dr. Lucie Szabova, Dr. Dominic Gerlach, and Tim, as well as the 2018 year-end party. We greatly appreciate Lucie-san’s contributions for five years. We wish her family happiness and success in the future.
Nov 2018: SI, GS gave contributed talks in 2018 MRS Fall Meeting (Boston, MA)
Nov 2018: YT, RJ, BG attended the 59th Battery Symposium in Japan, held in Osaka. YT and RJ gave contributed talks.
Nov 2018: YT gave an invited talk (in Japanese) at the annual meeting of the Japan Society of Vacuum and Surface Science, held in Kobe .
Nov 2018: Prof. Michiel Sprik (Univ. of Cambridge) visited us, and gave a talk on electromechanics. Dr. M. Otani and Prof. K. Terakura also joined, and we had discussions on the theory intensively. [Photo: Prof. M. Sprik with AI, RJ & YT]
Nov 2018: YT gave a poster presentation at the 5th HPCI report workshop, held in Shinagawa.
Oct 2018: AI gave an invited talk in the JST-PRESTO & MPG-FHI joint workshop, held at Fritz-Haber Institute in Berlin, Germany. He had many essential discussions with the researchers from Germany side as well as the other PRESTO member.
Oct 2018: SI & GS gave poster presentations in ACSIN14 & ICSPM26, held in Sendai, and had fruitful discussions.
Oct 2018: Dr. Takao Tsuneda joined the IFCS group as a NIMS special researcher. Welcome Tsuneda-san!
Sep 2018: AI & YT attended the meeting of Catalysis Society of Japan, held in Hakodate, and AI gave a contributed talk.
Sep 2018: The IFCS / BM group BBQ party was organised at Ninomiya-house. We enjoyed interesting drinks and thick steaks. [Group photo]
Sep 2018: YT & RJ both were invited to 12th Japan-France Battery seminar, held in Gifu, and gave invited talks.
Sep 2018: AI & YT attended the annual meeting of Molecular Science Society Japan, held in Fukuoka, and AI delivered a contributed talk.
Sep 2018: RJ & BG attended COMDI2018, held at EPFL, Lausanne, Switzerland, and gave poster presentations.
Sep 2018: RJ attended MMM Hub meeting, held in Thomas Young Centre, London, UK, and gave a poster presentation.
Sep 2018: YT attended ISE annual meeting, held in Bologna, Italy and gave a contributed talk. He also had many discussions about the battery phenomena.
Aug 2018: EPFL student tour, guided by Prof. Michele Ceriotti, was held in NIMS Namiki site, and YT played the organiser role in the NIMS side. RJ gave his MI studies on battery materials. Several members of the group also contributed to the organisation. [Group photo]
Aug 2018: SI, AC, XG and YT attended the young scientist workshop of CSE, held in Atami, and gave presentations. We also had detailed discussions with the other young members in CSE, the Priority area 5 of the Post-K project, MEXT.
Aug 2018: YT, RJ and BG visited Prof. Yanming Ma at Jilin University, Changchun, China for collaboration on the CALYPSO application to the battery issues. We had lots of detailed discussions on future targets as well. [Photo: Prof. Yanming Ma, Prof. David Singh with BG, RJ & YT]
Aug 2018: LS and YT attended TOCAT8 held in Yokohama, and LS gave a contributed talk.
Jul-Aug 2018: Prof. Jer-Lai Kuo and Dr. Yun-Wen Chen, Academia Sinica, Taipei, visited us for the kick-off of our MOST-NIMS bilateral program for the coming 2 years. We had intensive discussions about simulation studies on interesting energy issues. [Photo: Prof. Jer-Lai Kuo, Dr. Yun-Wen Chen, Dr. T. Miyazaki, Dr. A. Nakata and the IFCS/BM members]
June 2018: YT was invited by Prof. Patrick H. L. Sit to City Univ. of Hong Kong under the oversea professor invitation program. In addition to Prof. Sit, YT met his friends, Prof. Masaru Yarime and Prof. Denis Y. W. Yu as well. YT gave a seminar in School of Energy and Environment, and had lots of interesting discussion with the faculties and students in City U. [Photo: with Prof. Patrick H. L. Sit on the peak of the Hong Kong island]
June 2018: YT, RJ, HMNA, AC as well as GS, BG, SI attended the IMLB2018, held at International Conference Center Kyoto in Kyoto city. We gave several poster presentations as well as had fruitful discussions with the many experimentalists in the meeting. [ Photo: in the group party at a Russian restaurant near Kamo-gawa river]
June 2018: We organised a welcome party for Dr. Xichan Gao after the group meeting on 4 June. She will work with Prof. Kazuto Akagi in Tohoku Univ., who also attended the party as well. [Photo: Prof. Kazuto Akagi, Dr. Xichan Gao + the members and colleagues of the IFCS group.]
May 2018: YT gave an invited talk in Simulations (and theory) in Physical chemistRy: an International Kermesse in Paris (SPRIK 2018), cerebrating 65th birthday of Prof. Michiel Sprik, held at Ecole Normale Superieure, Paris, France. YT enjoyed lots of interesting talks and meeting old friends. On top of that, YT appreciated Prof. Marie-Pierre Gadget (U Evry val D’Essonne), Prof. Marialore Sulpizi (Johannes Gutenberg U Mainz), and Prof. Rodolphe Vuilleumier (Ecole Normale Superieure Paris) for their wonderful organisation. [Photo: At a tea time.]
Apr 2018: YT & RJ contributed to the NIMS open house on 22 April 2018.
Apr 2018: Symposium EN01 "Solid-Solid Interfaces in Batteries, Energy Storage and Conversion—Diagnostic and Modeling” in 2018 MRS SPRING MEETING & EXHIBIT (2-6 April 2018, Phoenix), which YT co-organised with Dr.Kevin Leung (Sandia), Prof. Yue Qi (Michigan State) & Prof. Bruce Dunn (UCLA), was successfully finished. YT appreciated the invited speakers from Japan: Dr. Kazunori Takada (NIMS), Prof. Taro Hitosugi (Tokyo Inst. Tech.), Prof. Akitoshi Hayashi (Osaka Pref. Univ.), Prof. Yasutoshi Iriyama (Nagoya Univ.) and Prof. Yuich Ikuhara (The Univ. of Tokyo) for their considerable contributions. We had many critical but essential discussions throughout the symposium. YT as well as RJ and KS gave contributed talks in this session. [Photo; 3 organisers: Dr. Kevin Leung, Prof. Yue Qi and YT.]
Apr 2018: Dr. Hussein Naseef Mohammad Al Assadi (HNMA) joined the IFCS group again for a battery project. Welcome back.
Mar 18: YT visited Dr. Kevin Leung at Sandia Natl Lab in Albuquerque for discussion on recent interface studies as well as organisation of MRS symposium next week.
Mar 18: RJ gave a poster presentation at Int’l Battery Seminar held in Florida, and had meaningful discussions.
Mar 18: YT attended a CECAM workshop held at EPFL “Electrostatics of Concentrated Electrolytes” and had lots of meaningful discussions. He also gave a poster presentation.
Mar 18: RJ and AC attended IBA2018, held in Jeju, South Korea, and gave poster presentations.
Mar 18: RJ gave a presentation in APS March meeting in LA.
Jan 18: YT organised 17th GREEN symposium, together with Prof. M. Nakayama and KS, held at Hitotsubashi lecture hall in Tokyo. We really appreciated the participants.
Jan 18: YT attended a workshop on “Structure and control of interface” organised by many professors including Prof. Maki Kawai (Director of IMS).
Dec 17: YT, SI and AC attended annual symposium of post-K priority area No. 5. SI gave an oral talk and AC gave a poster presentation. We discussed several methodological tips.
Dec 17: YT won the “Best Use of HPC in Manufacturing” of HPCwire 2017 Readers Choice Awards together with RIKEN AICS for the achievements of "clarifying long-standing issues and advance development of next-generation batteries”. [Photo: with Prof. Kimihiko Hirao (Director of RIKEN AICS)]
Dec 17: Dr. Randy Jalem (RJ), joined the IFCS-BM group as a permanent staff researcher! Welcome!
Nov 17: YT & KS attended iNaB2017, held at the Kagurazaka Campus of Tokyo Univ. of Science and had many interesting discussions on Na-ion battery systems. YT discussed with Prof. Claude Delmas (Bordeaux) etc.
Nov 17: YT gave an invited talk in ICAE2017, held in Jeju, South Korea and had many discussions with leading DFT researchers in Korea such as Prof. Ki-Ha Hong.
Nov 17: YT and KS gave oral talks on CJK, HNMA and AC projects in the Battery Symposium in Japan, held in Fukuoka.
Oct 17: YT gave an invited talk in ISSS-8, The 8th International Symposium on Surface Science, held in Tsukuba, Japan
Oct 17: “CPMD2017 workshop" was held in Tsukuba!YT played a co-chair role in the organising committee, and IH & KS contributed as the members.We had lots of interesting invited talks, posters and discussions. We also had a special session for Prof. Roberto Car’s 70th birthday. For detail, please visitCPMD2017 Workshop webpage. [Photos: (left) A group photo of CPMD2017 Workshop, (middle) Prof. Michele Parrinello (ETH & USI) and Prof. Roberto Car (Princeton), (right) Prof. Jochen Blumberger (UCL), Prof. Marialore Sulpizi (Mainz), Prof. Jun Cheng (Xiamen) and YT.]
Sep 17: YT gave an invited talk in the 6th Polish Forum Smart Energy Conversion & Storage, held in Bukovina Tatrzanska, where he had extensive discussions with Prof. Janina Molenda (AGH Univ. of Sci. and Tech., Poland), Prof. Joachim Maier (MPI Stuttgart), Prof. Rene Hausbrand (Tech. Univ. Darmstadt), Prof. Truls Norby (Univ. Oslo) and so on.
Aug 17: YT gave an invited talk in a symposium organised by Prof. Tejima and Prof. Zettsu (Shinshu Univ.) in IUMRS-ICAM 2017, held in Kyoto University. He had lots of discussion with the other invited speakers such as Prof. Ying Shirley Meng (UCSD), Prof. Jeff Sakamoto (Michigan), and Prof. Denis Yu (Hongkong).
Aug 17: YT gave a lecture in the summer school of catalysis society of Japan, and had lots of discussions with active young students as well as the other lecturers.
July 17: YT gave an invited talk in a “NIMS MI2I Workshop” about brute-force first-principles sampling. He discussed with the other speakers such as Prof. Isao Tanaka (Kyoto), Prof. Chris Wolverton (Northwestern) as well as Prof. Junichiro Shiomi (Tokyo).
July 17: YT and KS visited Prof. Jer-Lai Kuo, Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei and gave talks in a workshop. They also had lots of discussions about solid-liquid interfaces of batteries and solar cells.
July 17: Prof. Amalendu Chandra (IIT Kanpur), who is now staying in IMS, Okazaki for his sabbatical stay, visited the IFCS-BM group and gave a talk in the MANA/GREEN seminar series. We also had lots of interesting discussions on computational techniques and studies on aqueous and non-aqueous solutions.
July 17: YT gave an invited talk in FiMPART 2017, held in Bordeaux, France.
June 17: YT attended PASC17 (Platform for Advanced Scientific Computing Conference), held in Lugano, Switzerland. He organised two mini symposia, responding to the requests from researchers in Switzerland: (1) Atomistic Simulations of Interfaces; Complex but Deciding and (2) Still Toward First-Principles Simulations on Exascale Supercomputers, and invited Prof. K. Tsuda, Dr. S. V. Levchenko, Dr. M. Otani, Dr. K. Leung, Prof. J. Hutter, Dr. T. Nakashima, Prof. A. Oshiyama, & Prof. S. Goedecker. He also discussed with several friends working on computational researches: Prof. J. VandeVondele, Prof. M. Parrinello, Prof. R. Vuilleumier, Prof. S. Tenno, Dr. L. Ghiringhelli, Prof. A. von Lilienfeld & Prof. M. Ceriotti etc. [Photo: (left) with Prof. S. Goedecker, (right) at the entrance of the venue.]
June 17: RJ and YT attended SSI-21 (Solid State Ionics) held in Padua, Italy. RJ gave an invited talk on machine learning study of oxide electrolyte and YT gave a contributed talk on charge distributions at solid-solid interfaces. YT had many interesting discussions with Prof. Atsuo Yamada, Prof. Shinichi Komaba, Prof. Shirley Meng, Prof. Shyue Ping Ong, Prof. Yue Qi, & Dr. Oleg Bolodin etc. [Photo: with Prof. A. Yamada, Prof. S. Komaba, Dr. D. Asakura, & Dr. E. Watanabe]
June 17: YT gave a special lecture in Aomori High-school, selected as a Super Science High-shchool.
June 17: The IFCS-BM group organised a summer BBQ party at Ninomiya House. We enjoyed many drinks and foods like big beef steaks provided by HNA. [Photo: group photo and the steak.]
May 17: YT, KS, SI, MD attended EIC2017 (an international workshop on electrified interfaces for energy conversions), held at Shonan Village Center. SI and MD also gave poster presentations. We had many substantial discussions with Prof. Marc. Koper, Prof. Masatoshi Watanabe, Prof. Prashant Kamat, Prof. Andrew Gewirth etc.
May 17: YT attended the final lecture of Prof. Kazuhiro Hashimoto, The University of Tokyo, held at the Hongo Campus of The University of Tokyo. YT was a member of JST Hashimoto-PRESTO. [Photo: with Prof. K. Hashimoto and some of the Hashimoto-Kasagi-Hanamura PRESTO members ]
Apr 17: YT visited Dr. Kevin Leung at Sandia National Laboratory and gave a seminar talk. YT also had lots of discussions with computational and battery people there. [Photo; with Dr. Kevin Leung and his friend.]
Apr 17: YT attended MRS 2017 SPRING MEETING. It was approved that YT, as well as Dr. Kevin Leung, Prof. Yue Qi, Prof. Bruce Dunn will organise an symposium in MRS 2018 SPRING MEETING.! YT had lots of discussions with many people like Prof. N. Yabuuchi, Prof. K. Tsuda, Prof. T. Oguchi, Dr. K. Leung etc. [Photo: with Prof. Naoaki Yabuuchi]
Apr 17: YT and KS attended the JST-ALCA-SPRING meeting in Odaiba, and YT gave a poster presentation.
Apr 17: Prof. Ikutaro Hamada in the Osaka University visited the IFCS-BM group and had collaboration discussion with CK and YT.
Apr 17: We had a welcome party to AI, and a farewell party of CK. Dr. Chris Kirkham will leave the IFCS-BM group and go back to UK in the end of April. [Photo: welcome and farewell party]
Apr 17: Prof. Michiel Sprik, a Professor in Theoretical Chemistry, University of Cambridge, visited the IFCS-BM group again and had extensive discussions on the interfacial reactions. [Photo: with Prof. Michiel Sprik after his seminar]
Apr 17: YT and KS attended the Kanamura team meeting, JST-ALCA-SPRING, held in Tohoku University, and YT gave a progress report talk.
Apr 17: KS gave an invited talk in International Workshop of Materials Informatics and Materials Data (MIMD), held in NIMS.
Apr 17: The IFCS-BM G group had a group lunch under the cherry flowers in the Ninomiya Park. [Photo: the IFCS-BM group, Dr. Sergey Levchenko, and friends.]
Apr 17: Dr. Atsushi Ishikawa (AI), from Waseda University, joined the IFCS-BM group as a NIMS postdoctoral researcher.
Apr 17: GL Dr. Yoshitaka Tateyama was awarded a NIMS President prize. He was also appointed as the laboratory director of the newly-established MOP-MI laboratory, NIMS. KS also joined the MOP-MI laboratory.
Mar 17: Dr. Sergey Levchenko visited the ESICB, Kyoto University together with YT, and gave an ESICB colloquium. He also had several discussions with young scientists in the ESICB. [Photo: with Dr. Sergey Levchenko and the members of Prof. Hirofumi Sato group and ESICB theory group in Kyoto University.]
Mar 17: Dr. Sergey Levchenko, a Group Leader of Theory department, Fritz-Haber Institute of the Max-Planck Society, Berlin, visited cMI2 (Prof. Terakura) and the IFCS-BM group. As we’re doing an on-going collaboration, we had lots of the collaboration discussion.
Mar 17: KS attended the March meeting of electrochemistry society in Japan, held in the metropolitan University, Hachioji, Tokyo.
Mar 17: IH, JH and HA will leave the IFCS-BM group in the end of March. Dr. Hamada becomes associate professor in Osaka University, Dr. Haruyama moves to a post-doc position in AIST (supervised by Dr. M. Otani), and Dr. AlAssadi will be assistant professor in University of Tsukuba. We had a big (COSTCO) farewell party for them with other GREEN members including Prof. Uosaki, Prof. Miyano and Dr. Kubo. [Photos: (left) the IFCS-BM group, GREEN project members, Dr. Y. Kubo, and Dr. K. Uosaki. (right) Dr. Ikutaro Hamada, Dr. Jun Haruyama, Dr. Hussein AlAssadi.]
Mar 17: JH gave an oral talk in the JSPS March meeting held in Osaka University.
Mar 17: YT gave an invited talk in an ATP symposium regarding next-generation batteries in the annual meeting of the Chemical Society of Japan, held at Keio University, and had lots of essential discussions.
Mar 17: SI attended JSAP March Meeting held in Yokohama.
Mar 17: KS attended APS March Meeting 2017 held in New Orleans, Rouisinana, US.
Mar 17: YT attended "Simulations Encounter with Data Science” workshop held at the Institute of Statistical Mathematics, Tachikawa, Tokyo.
Mar 17: T, AC, HSA, and KS attended IBA 2017 held in Nara and had several discussion with the leading researchers. [Photo: Joint dinner with Prof. Yamada and Prof. Okubo group in Nara]
Feb 17: YT attended the MANA International Symposium 2017 and chatted with his friends, Prof. Andrew Rappe (U PENN) and Prof. David Bowler (UCL).
Feb 17: KS gave an invited talk in a workshop on characterisation of surfaces and interfaces, held in Shonan International Village and had a lots of discussion with the experimentalists.
Feb 17: KS and RJ gave poster presentations in MI2I forum held in Tokyo.
Feb 17: YT visited Fritz-Haber Institute of Max-Planck Society, Berlin, Germany for the collaboration discussions.
Feb 17: YT attended the final lecture of Prof. Maki Kawai, The University of Tokyo, held at the Kashiwa Campus of The University of Tokyo. YT was a member of JST Kawai-PRESTO.
Feb 17: RJ visited Imperial College London in UK to discuss potential collaborations.
Feb 17: IH visited Oxford University and Cambridge University (Prof. Michiel Sprik etc.) in UK to discuss potential collaborations.
Feb 17: JH gave a poster presentation in AP-HOPV17 held in Yokohama.
Jan 17: KS gave an invited talk in the 41st International Conference and Expo on Advanced Ceramics and Composites, held in Daytona Beach, Florida, USA.
Jan 17: IH was invited to ISSP, The Univ. of Tokyo, and gave a talk in the theory seminar series.
Jan 17: Dr. Takashi Kumagai (group leader, Fritz-Haber Institute of the Max-Planck Society) visited the IFCS group and gave a talk in the MANA seminar series. We enjoyed many discussions.
Jan 17: YT gave special lectures in the Institute for Materials Chemistry and Engineering, Kyushu University, hosted by Prof. Shigeto Okada and Prof. Ayuko Kitajo. Prof. Naoaki Yabuuchi (Tokyo Denki Univ.) also gave special lectures together. Then we exchanged a lot of useful information.
Jan 17: KS attended the 18th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods, and gave a poster presentation. He had many discussions with the participants.
Dec 16: LS (Dr. Lucie Szabova) delivered a baby. Congratulations!!!
Dec 16: YT gave an invited talk on his battery researches using K computer in the symposium of the priority 5 area for the post-K computer, held in the Asano campus, The University of Tokyo. Also, SI gave a poster presentation.
Dec 16: We had a year-end party of the ICFS group in early December. This is also a welcome/farewell party for Dr. Marco Govoni. We enjoyed lots of drinks and foods. In this year, we really did hard works and made lots of progress! [Photo: at the year-end party.]
Nov 16: YT, KS & JH gave talks in the 57th Battery Symposium in Japan held at Makuhari Messe, and had lots of discussions.
Nov 16: Dr. Marco Govoni (Arrgonne NL & Univ. Chicago) stayed in the IFCS group as a JSPS foreign researcher hosted by IH. He gave a CMS seminar talk on WEST code (large-scale GW calculation code), and had lots of discussions in the group. [Photo: Dr. Marco Govoni, presenting a talk in the CMS seminar.]
Nov 16: IH gave an invited talk in the 2016 International Symposium on Innovative Materials and Physics, and had lots of interesting discussions.
Nov 16: YT was invited to the Embassy of the Federal Republic of Germany in Tokyo (Minami-Azabu) for the reception organised by His Excellency Dr. Joachim Gauk, the President of the Federal Republic of Germany.
Nov 16: YT gave an invited talk on battery issues in the 8th international workshop on Advanced Materials Science and Nanotechnology (IWAMSN2016), held in Ha Long city, Vietnam. He enjoyed the workshop very much.
Nov 16: YT gave an invited talk on perovskite solar cell in ENGE2016 held in Jeju, South Korea. He also had lots of discussions with the organisers (Prof. Ki-Ha Hong, Prof. Hyung-Jun Kim & Prof. Seungwu Han) as well as the other invited speakers such as Prof. Jun Cheng. [ Photo: with Prof. Ki-Ha Hong, Prof. Jun Cheng, Prof. Sevastien Lebegue, Prof. HyungJun Kim and his group members @ a fish restaurant]
Nov 16: IH visited Prof. J. Norskov @ Stanford Univ. and several professors @ UC Berkeley for future collaborations.
Oct 16: YT and SI attended a symposium on catalyst informatics for sustainable society held in Hokkaido University. They also had collaboration discussion with Dr. Sergey Levchenko (FHI-MPG, Berlin), an invited speaker of the symposium in Prof. Hasegawa group in the Institute for Catalysis (ICAT). We made significant exchange of the knowledge as well as data.
Oct 16: IH visited Osaka Univ. and Kyoto Univ. for discussion of the collaboration researches.
Oct 16: YT gave a selected oral talk in the NIMS WEEK (@Tokyo International Forum) for outreach of theoretical/computational researches in NIMS. YT also explained the cutting-edge research to a State Minister of Cabinet Office, Japan, as well. [Photo: with Prof. Koichi Mizushima (a winner of NIMS award 2016)]
OCt 16: YT and JH gave poster presentation in the 3rd reporting workshop of HPCI, held in Shinagawa.
Oct 16: We had a big welcome party for Dr. Ashu Choudhary joining the IFCS group in September, Dr. Randy Jalem who got JST-PRESTO award since 1 Oct and Dr. Keitaro Sodeyama who became the tenure position in NIMS. [Photo: most of the group members and some friends]
Oct 16: Dr. Keitaro Sodeyama became the senior researcher (tenure position), modelling group in cMI2, NIMS.
Sep 16: KS and IH atteneded PRiME2016 and gave oral talks.
Sep 16: IH gave an invited talk in the EU-Japan workshop 2016, held at Peter Grünberg Institute, Forschungszentrum Jülich, Germany, and had lots of meaningful discussions.
Sep 16: KS gave an invited talk in the 11th Japan-France Joint Seminar on Batteries, held in Nantes, France, and had many interesting discussions with the international participants.
Sep 16: YT gave an oral talk in the 118th meeting of Catalysis Society of Japan, held at Iwate Univ., Morioka, and had lots of fruitful discussions on catalytic reactions.
Sep 16: JH gave an oral talk in the surface/interface region, and YT gave an invited talk in a symposium concerning the national projects on Elements Strategy Initiative and materials informatics, in Japan Physical Society Meeting held at Kanazawa Univ., Ishikawa.
Sep 16: Dr. Ashu Choudhary, who has just got ph.D at IIT Kanpur, joined the IFCS group, and works on the electrolyte issues.
Sep 16: YT played roles of chairperson and panelist in the 3rd joint symposium by post-K computer project (No.5), Spring-8, and J-PARC, held in Akihabara, Tokyo.
Aug 16: YT gave talks at BASF SE in Ludwigshafen am Rhein and BASF BELLA in Karlsruhe Institute of Technology about his simulation researches on battery materials. He also had fruitful discussions with the members of the battery research divisions of BASF such as Dr. Klaus Leitner and Dr. Balazs Berkes. [Photos: at the BASF SE headquarter in Ludwigshafen am Rhein.]
Jul 16: YT stayed in Prof. Matthias Scheffler group, Fritz-Haber Institute (FHI) of Max-Planck Society, Berlin, Germany for 6 weeks and worked on surface informatics project together with Prof. M. Scheffler and Dr. Sergey Levchenko. In addition to the project, YT had lots of discussion with the members in the Theory Department of FHI such as Dr. Matthias Rupp. [Photos: with Prof. Matthias Scheffler and Dr. Sergey Levchenko & T- and M-buildings (where he worked) of FHI.]
Jul 16: IH stayed in Prof. Giulia Galli group, Univ. of Chicago, Chicago, IL, USA, in July, August & September 2016, and proceed the collaboration project on the development of cutting-edge electronic structure calculations. He also had lots of discussion with the interface calculations, informatics approaches as well as many-body perturbation theory.
Jul 16: YT gave a talk in the 4th JST Kawai-PRESTO workshop, held at Tohoku University, and had fruitful discussion with the members in the JST Kawai-PRESTO.
Jun 16: IH organised the 13th GREEN symposium held at NIMS, as a member of the organizing committee.
Jun 16: YT gave an invited talk in the IMLB2016 (The 18th International Meeting on Lithium Batteries) held at Hyatt Regency Chicago, Chicago, IL and had lots of discussions with world-leading researchers in the battery community. KS also gave a poster presentation as well. [Photo: with Prof. Atsuo Yamada, Prof. Masashi Okubo, Prof. Yuki Yamada and their group members plus YT and KS for dinner.]
Jun 16: YT gave an invited talk in the meeting of the committee of battery technology, the electrochemical society of Japan, held in Yokohama National University, and had important discussions with Prof. M. Watanabe, Prof. M. Inaba etc.
Jun 16: IH became an IP member of Center for Spintronics Research Network (CSRN), Osaka University.
May 16: KS gave an invited talk on materials informatics in the theoretical chemistry meeting in Japan, held in Waseda Univ.
May 16: YT and IH attended CPMD2016 held at University of Chicago. IH is a member of the organising committee chaired by Prof. Giulia Galli and YT is an invited speaker in the workshop. YT and IH have discussed the cutting-edge first-principles simulation techniques with many participants including Prof. Michiele Parrinello, Prof. Annabella Selloni, Prof. Joost VandeVondele, Prof. Rodolphe Vuilleumier, Prof. Angelos Michaelides, Prof. Xinzheng Li, Prof. Sheng Meng as well as Prof. Francois Gygi and Prof. Gilulia Galli. [Photo: with Prof. Giulia Galli and Prof. Michele Parrinello as well as the CPMD2016 board.]
Apr 16: IFCS and BM group welcome party was held in a restaurant in the Q’t, Tsukuba. We have enjoyed the food, drinks and chatting. [Photo: most of the group members and some friends]
Apr 16: Prof. Mattias Scheffler, Fritz Haber Institute of the Max Planck Society, Berlin, visited NIMS MI2I and gave talks in the two workshops. YT had discussion with Prof. Scheffer about the informatics studies.
Apr 16: YT, MD, SI and YO attended the team meeting of JST-ACCEL led by Prof. Yasuaki Einaga, which was held in the Hiyoshi Campus, Keio University.
Apr 16: Prof. Atsuo Yamada, The University of Tokyo, and his group members visited the IFCS group and had discussion on our collaboration. Also, Prof. Yamada gave a talk in the GREEN&MANA seminar series.
Apr 16: We had a HANAMI lunch under cherry trees in full bloom in the Banpaku Kinen Koen Park, Tsukuba, together with people in the first-principles simulation group (Miyazaki group) in MANA. We have enjoyed Bento, Cake, and snacks. [Photo: the members in the IFCS group in GREEN and the first-principles simulation group in MANA]
Apr 16: Upon the NIMS re-organisation on 1 April, the Nano-System Computational Science (NSCS) group, MANA moved to the Interface Computational Science (IFCS) group, Center for Green Research on Energy and Environmental Materials (GREEN). The staff members are now Dr. Yoshitaka Tateyama (GL) and Dr. Ikutaro Hamada. As the IFCS group quite overlaps with the NIMS team of the Battery Materials (BM) group, cMI2, the two groups started the group activities together. The IFCS-BM joint group has 4 newcomers: Ms. Chifumi Nishimoto for the IFCS group secretary, Dr. Shota Iizuka for the catalysis project, Dr. Christopher Kirkham and Dr. Yu Komatsu for the BM group in cMI2. [Photos: the members of IFCS G in GREEN and BM G in CMI2 with some friends at our cafe.]
Mar 16: Prof. Michiel Sprik (Department of Chemistry, University of Cambridge) visited the NSCS group again, and gave a talk in the series of MANA&GREEN Joint Seminar. Besides, we had lots of discussions about how to understand water dissociation and electrochemistry in the DFT framework. [Photo: with Prof. Michiel Sprik and the NSCS group members at a sushi restaurant]
Mar 16: YT gave an invited talk on K-computer based DFT studies on SEI film in LIB in a Spring-8 workshop, held at Toyonaka Campus, Osaka University.
Mar 16: HA gave an invited talk on the thermoelectric materials in an international symposium held at Osaka University
Mar 16: We had a big farewell party for persons leaving the NSCS group: Ms. Koharu Aikawa will get a job in a company. Ms. Ikuko Tsukamoto will move to other groups in MANA, and Dr. Hiroki Kino will move his main position in Center for Materials research by information integration. We also had a second party at the ramen restaurant “toreador" . [Photo: the NSCS group members]
Mar 16: JH gave an oral presentation on the microscopic mechanisms of perovskite solar cell in the JSPS March meeting 2016, held in Sendai.
Mar 16: KS gave an invited talk on fusion research visualisation symposium, held at Kashiwa Campus, The Univ. of Tokyo
Mar 16: YT visited Dr. Niall English group, University College Dublin, Ireland and had lots of discussions on solid-liquid interfaces with Dr. English as well as Dr. Zdenek Futera, who used to be in the NSCS G before.
Mar 16: NSCS G members attended the MANA international symposium 2016, and YT gave a talk on the theoretical research on perovskite solar cell.
Mar 16: YT was invited to attend Japanese-Swiss Energy Materials Workshop held at EMPA, Dubendorf, Switzerland, organised by JST and ETH. He gave an invited talk as well as had lots of deep discussion with the other participants, leading scientists in this field in Japan and Switzerland.
Mar 16: IH visited Prof. Giulia Galli group in University of Chicago to proceed the GW project and attended the APS meeting held in Baltimore for discussion several theoretical techniques including Materials informatics.
Mar 16: KS attended ESICB symposium held at the Katsura campus, Kyoto University, and had lots of discussion s with experimentalist working on battery.
Feb 16: Prof. Yusuke Ootani, IMR, Tohoku Univ. visited us (mainly YT and MD) to have discussion on our JST-ACCEL project. We made big progresses with detailed discussions.
Feb 16: YT, LS and HA attended the JSPS TOKUSUI meeting (Yamada project) held at Hongo campus, The University of Tokyo. We had exchanged lots of useful information with the experimentalists in the project, Prof. Yamada-Okubo group, Prof. Harada group, as well as Dr. Asakura group.
Feb 16: Prof. Takao Kotani visited the NIMS NSCS group and had discussion with IH and HK.
Feb 16: YT and IH attended the post-K symposium on collaboration with industries, held at Station Hall Tokyo. YT was actually a main member of the organising committee of this symposium. We had many nice talks and interactions between academic researchers and industrial people.
Feb 16: KS attended the Gordon Conference held at Ventura on battery, and gave poster presentations. Also he had a lot of discussion with the leading researchers in this field such as Prof. Perla B. Balbuena,
Feb 16: We organised the Welcome Party for Hussein-san and Maofeng-san, and the Welcome back party for IH at one of our favourite Japanese pub in Tsukuba. [Photo: NSCS group members and friends at the pub]
Feb 16: Dr. Ikutaro Hamada got back to NIMS NSCS G for Prof. Galli group at University of Chicago. He’s working on a GW calculation project now, and gave a talk on the details in an open seminar.
Jan 16: YT and KS visited Dr. Johan Scheers, our collaborator, at Prof. Patrik Johansson group, Chalmers University of Technology in Gothenburg (Goteborg), Sweden. KS gave an invited talk in the mini workshop organised by Prof. Johansson. Both attended several group activities, and had extensive discussion with Dr. Scheers for our collaborations on battery electrolytes. [Photo; Dr. Johan Scheers, Prof. Patrik Johansson, KS and YT (from left to right)]
Jan 16: YT and KS attended the 2nd MI2I forum held at Hitotsubashi Hall, Tokyo, and YT gave poster presentations about the battery materials group, MI2I.
Jan 16: YT gave an invited talk at the Elements Strategy Initiative - Spring-8, J-PARC, K-computer joint symposium, held at Ito hall, The Univ. of Tokyo.
Jan 16: YT gave an invited talk in TCCI - ICSCP joint workshop on post-lithium-ion batteries, held at Takeda hall, The Univ. of Tokyo.
Jan 16: YT, KS, JH attended the 12th GREEN symposium held at Hitotsubashi Hall, Tokyo.
Jan 16: Dr. Mohammad Hussein Naseef Al Assadi, and Dr. Maofeng Dou joined the NSCS group for the battery and the diamond electrode projects.
Dec 15: YT, YO and LS attended Pacifichem2015, held in Honolulu, Hawaii, USA. YT gave two invited talks on diamond electrode and synergistic study on lithium-ion battery. YO and LS also gave poster presentations about dye-sensitised solar cell and ceria interface. YT had lots of discussion there with Prof. Annabella Selloni, Dr. Oleg Bolodin, Dr. Kevin Leung, and Prof. Hiromi Nakai. [Photo: YO, LS and YT (from left to right)]
Dec 15: Dr. Yusuke Ootani will leave the NSCS group in the end of this month and become a project assistant professor, Prof. Kubo group, IMR, Tohoku University. We had a farewell party for him. This is also a welcome party for Dr. Keitaro Sodeyama as a JST-PRESTO researcher. [Photo: Yusuke-san, Nakata-san and the NSCS group members.]
Dec 15: YT, KS attended the last workshop of CMSI, held at Hongo campus, The University of Tokyo.
Dec 15: YT gave a lecture of DFT simulations of redox reactions at solid-liquid interfaces in Young Researcher Association on Surface Science, held at NIMS.
Dec 15: JH gave a contributed talk in Surface Science Symposium held at Tsukuba Epocal.
Nov 15: YT attended ISSP-MANA challenge meeting held in Nasu, and provided topics on large-scale DFT simulations for energy and environmental issues.
Nov 15: JH gave a contributed talk in Solid Ionics Meeting in Japan, held at Hokkaido Univ.
Nov 15: YT, KS as well as Dr. Okuno from FUJIFILM attended Battery Symposium Japan held in Nagoya. KS and Dr. Okuno gave contributed talks on our research on highly-concentrated electrolyte and formation mechanism of SEI layers.
Nov 15: YT, HK, KS, JH, LS attended ASIAN 18 held at ISSP, The Univ. of Tokyo, Kashiwa. JH and LS gave poster presentations.
Oct 15: YO and JH gave poster presentations on our recent results in the HPCI outcome symposium held at MIRAIKAN (Natl Museum of Emerging Sci. and Innovation), Odaiba, Tokyo.
Oct 15: JH gave a contributed talk about interfacial Li depletion in all-solid-state LIB, in STAC9 held at Tsukuba Epocal.
Oct. 15: Prof. Marc Koper visited Prof. Kohei Uosaki and the NSCS group in MANA, NIMS. He also gave a seminar on theoretical/computational analysis of electrochemical reactions. [Photo: (from left to right) KS, YT, Prof. Marc Koper, Prof. Kohei Uosaki]
Oct. 15: YT gave an invited talk in RSC (Royal Society of Chemistry)-MANA symposium held at MANA, NIMS in Tsukuba, and enjoyed the discussions with the other speakers, participants and the RSC people.
Oct. 15: YT gave an invited talk in the 2nd Kansai workshop of the adhesion society of Japan 2015, and had an interesting discussion with researchers working on polymers, super molecules. YT thanked the organiser, Prof. Takashi Miyata (Kansai Univ.)
Oct. 15: YT gave an invited talk on electrode-electrolyte interface in Lithium-Ion Battery in the 66th annual meeting of the International Society of Electrochemistry (ISE), held in Taipei. He also had several intensive discussion about batteries and interfacial redox reactions with many friends. [Photo: with Dr. R. Jinnouchi]
Sep. 15: YT gave a lecture in the meeting of Electrochemical Interface Simulation Consortium (organised by Dr. M. Otani (AIST)), held in Akihabara, and had lots of interesting discussions with industrial researchers.
Sep. 15: YT and KS attended the 7th symposium of ESICB, Kyoto Univ.
Sep. 15: YO gave an oral talk on dye-sensitised solar cell in the annual meeting of Japan Society for Molecular Science 2015 and had many intensive discussion.
Sep. 15: LS visited Prof. V. Matolin in Charles Univ. in Prague and Dr. Stefano Fabris & Dr. Matteo Farnesi Camellone, CNR-DEMOCRITOS/SISSA in Trieste to proceed our collaboration project on ceria.
Sep. 15: YT gave an oral talk in a bi-annual meeting of Catalysis Society of Japan, held at Mie Univ. and also contributed to a committee for interfacial molecular reaction. YT also visited Dr. Masaki Matsui, Mie Univ. and had intensive discussion on battery science.
Sep 15: YT, KS, JH, LS attended Psi-K 2015 conference held at The Kursaal Congress Centre, in San Sebastian, Spain, and gave poster presentations. YT had lots of discussion with many old friends in Europe & US, like Prof. M. Sprik (Cambridge), Prof. Annabella Selloni (Princeton). All of us also had discussion with many participants. [Photo: with Dr. Kevin Leung (Sandia), Dr. Max Amsler (Northwestern) ]
Aug 15: YT gave an invited talk on DFT analysis of Lithium-Ion Battery (LIB) in the 11th Pacific Rim Conference of Ceramic Societies (PACRIM11), held at ICC Jeju in Jeju island, Korea. YT had intensive discussion on space charge layers, redox reactions, and solid electrolyte interphase (SEI) in LIB with many participants. YT also enjoyed atmosphere in Jeju.
Aug 15: YT gave an invited talk on the DFT analysis of interfacial carrier transport, hysteresis and aging in the CECAM workshop "Perovskite solar cells: the quest for a theoretical description” held at the CECAM HQ, EPFL, in Lausanne, Switzerland. YT had intensive discussions with surface, interface and defects of PSC, with many participants including Prof. Filippo De Angelis, Dr. Edoardo Mosconi, Prof. Aron Walsh, Dr. Wan-Jian Yin, Prof. Ki-Ha Hong, and Prof. Koichi Yamashita etc. [Photo: with Prof. Filippo De Angelis]
Aug 15: YT gave a lecture series “first-principles calculations of redox and electrochemical reactions around solid-liquid interfaces” in the 55th summer school of young scientists in Molecular Science, held at the Hongo Campus, The University of Tokyo. In the lectures, YT explained the fundamentals of DFT for electron transfer, free energy calculation techniques, theories/methods for redox reactions, present status and future perspective of first-principles simulations of interfacial reactions. 14 students attended the YT’s class and all made nice presentations about the essential papers in this field. YT also enjoyed “nomi-nication” in the night sessions as well. YT appreciate all the students in his class, in particular, the class organiser, Ms. Ayako Kubo (Univ. Tokyo). [Photo: (left to right) Takagi, Baba, Yoko, Tanaka, Hayashi, Kubo, Tanimoto, YT, Ohta, Yoshida, Hirata, Umehara, Itoh, Itoh, Emori]
Jul 15: Dr. Zdenek Futera, who has stayed in the NSCS group for almost 4 years, will leave Japan to move to a next position in University College Dublin, Ireland. We had a farewell party for him and his wife, Ola-san. Some friends kindly joined us as well. [Photo: Zdenek & Ola as well as Jan-san, Nakata-san and the NSCS group members.]
Jul 15: YT visited Dr. Teodoro Laino and Dr. Ivano Tavernelli, the main developers of CPMD code, in IBM Research Zurich, Switzerland, and had lots of discussion about tuning of CPMD codes (original and NIMS version) for K computer. We had also several scientific discussion. [Photo: (from left to right) Teo, myself, and Ivano.]
Jul 15: YT was appointed to serve as an advisor of a JST-PRESTO on catalysis lead by Prof. Hiroshi KItagawa (Kyoto Univ.)
Jul 15: NIMS Materials Research by Information Integration Initiative (MI2I) was launched. 6 groups were established under the director, Prof. Kiyoyuki Terakura (NIMS fellow). YT plays a role of sub GL of the battery group, while HK plays a role of facilitator in the data science group. IH and KS also join the battery G.
Jun 15: YT and KS received the 7th Germany Innovation Award “Gottfried Wagener Prize 2015” for their achievement of "Theoretical Elucidation of Reaction Mechanism on Electrolyte Interface in Lithium-Ion Battery with Highly-Efficient Use of Supercomputers”. The award ceremony was held at Grand Hyatt Tokyo in Roppongi, Tokyo. [Photo: (from left to right) Hono fellow (Prof.), Fujita vice president, Dr. Sepehri-Amin, Ushioda president (Prof.), YT, KS, Uosaki fellow (Prof.) in NIMS]
Jun 15: YT and JH gave oral talks on first-principles calculations of perovskite solar cell and all-solid state lithium ion battery in the 10th GREEN symposium held in the Namiki site, NIMS.
May 15: YT visited IH at Prof. Giulia Galli group in the University of Chicago., and gave a talk in the group seminar. Then, YT and IH had lots of discussions about our projects. [Photo: IH and YT at the Inst for Molecular Engineering directed by Prof. Galli.]
May 15: YT attended the 227th ECS meeting held in Chicago, IL, USA.
May 15: YT attended the 3rd alumni reunion of JST-PRESTO “Structure and Control of Interface” (Director: Prof. Maki Kawai) organised by Prof. Ken-ichi Fukui (Osaka Univ.).
May 15: YT, ZF, YO attended the kick-off meeting of JST-ACCEL “diamond electrode” (Director: Prof. Yasuaki Einaga at Keio Univ.) held at the Hiyoshi Campus, Keio Univ.
May 15: YT and JH attended HOPV15 (Hybrid and Organic Photovoltaics Conference) held in Rome, Italy, and YT gave a contributed talk about the interface of perovskite sensitiser (CH3NH3PbI3). Also we had several discussion with other participants including Prof. Filippo De Angelis, a conference chair.
May 15: YT attended workshop on Materials Science for Energy Storage held at ICTP, Trieste, Italy and gave poster presentations as well as a contributed talk. In addition, YT had lots of discussion with the other participants such as Dr. Nicola Seriani, Prof. Michiel Sprik, Dr. Stefano Fabris, Dr. Simone Piccini, Dr. Teodoro Laino, Prof. Alejandro Franco etc.
Apr 15: YT gave a special lecture in Nagoya Institute of Technology, organised by Prof. M. Nakayama. Then, YT had intensive discussion about battery material development with Prof. M. Matsui (Mie Univ.), another lecturer, Prof. I. Takeuchi, Dr. R. Kobayashi, Dr. T. Tamura, Prof. K. Ikeda, etc.
Apr 15: YT gave a talk in NIMS-MOST(Taiwan) workshop held in MANA, NIMS.
Apr 15: YT gave an invited talk in the kick-off meeting of Electrochemical Interface Simulation Consortium organised by Dr. Minoru Otani (AIST), and had many discussions.
Apr 15: Prof. Tomoya Ono (Univ. Tsukuba) visited the NSCS group and gave a talk in the MANA seminar series. He also had intensive discussion with HK.
Mar 15: Prof. Michiel Sprik (Univ. of Cambridge) visited the NSCS group. We had intensive discussion on the computational electrochemistry.
Mar 15: Prof. Takao Kotani (Tottori Univ.) stayed in the NSCS group mainly for his collaboration with HK. He also gave a talk on the present status of QSGW calculations. [Photo: With Prof. Takao, Kotani, Prof. Michiel Sprik, Dr. Takashi Miyake after the seminar by Prof. Kotani]
Mar 15: Prof. Patrick Sit (City Univ. of Hong Kong) visited NIMS and gave a seminar. Then, we intensively discussed DFT calculations of redox reactions.
Mar 15: YT gave the final report talk of his PRESTO project in the research area “Phase Interfaces for Highly Efficient Energy Utilization”, in the symposium held in Tokyo Inst. Tech.
Mar 15: KS gave an invited talk at the 95th annual meeting of the chemical society of Japan, held in Nihon Univ.
Mar 15: KS gave an invited talk at the 70th JPS bi-annual meeting held in Waseda Univ. YT and JH also gave oral talks.
Mar 15: YO gave an invited talk at the 3rd NTChem workshop, held at AICS, RIKEN, Kobe.
Mar 15: MANA international symposium 2015 was held at EPOCAL, Tsukuba. HK, ZF, LS, YO, JH gave poster presentations.
Mar 15: Prof. Christian Joachim stayed in NIMS and had discussions with HK and SS for their collaboration.
Mar 15: YT gave an invited talk in the kick-off symposium of the project No.5 for the post-K computer, held at IMS, Okazaki. YT will be in charge of the computational study on batteries mainly in this project.
Feb 15: Dr. Johan Scheers (Chalmers Univ. of Tech., Goeteborg, Sweden) stayed in the NSCS group for around two weeks to have intensive discussion for the collaboration. [Photo: Welcome party for Ms. Ikuko Tsukamoto, Dr. Johan Scheers, and Ms. Olivia Scheers in the NSCS group coupling with some of MANA admin. people.]
Feb 15: Ms. Ikuko Tsukamoto joined the NSCS group as new group secretary.
Jan 15: YT gave an invited talk in UNISTRA-NIMS Joint Workshop 2015, held at Namiki-site, NIMS.
Jan 15: KS gave an invited talk in second China-Japan-Korea Tripartite Workshop on Theoretical and Computational Chemistry, held at AICS, RIKEN in Kobe.
Jan 15: YT gave an invited talk on diamond electrode at a workshop of Japan New Diamond Forum, held in Komaba campus, The University of Tokyo
Jan 15: YT gave an invited talk on Lithium Ion Battery at a workshop in The Kinki Chemical Society Japan, held in central Osaka.
Jan 15: YT, KS, JH, YO attended the 9th GREEN symposium in Hitotsubashi Hall where perovskite solar cell is the focused topic.
Dec 14: Prof. Alex Zunger (Univ. of Colorado) visited NIMS and gave a seminar on inverse problem. YT then had discussion with him.
Dec 14: The NSCS group organised a 2014 year-end party with Miyazaki group in CMSU, NIMS in the MANA bldg. We had lots of foods from COSTCO & some restaurants, and mysterious strong liquors. [Photo: members of the NSCS group (except for IH) and Miyazaki group.]
Dec 14: YT and KS attended the 5th CMSI workshop held at the Katahira campus, Tohoku Univ., and KS gave an invited talk and was awarded a long scientist award.
Dec 14: YT gave an invited talk on free energy calculations on K computer and new method to calculate the electron transfer rate for donor-acceptor electron transfer in ISC-QSD2014 held at The Univ. of Tokyo. HK, KS, ZF, YO, JH, LZ, MC also gave poster presentations. We had many intensive discussions with the invited speakers like Prof. Roberto Car (Princeton Univ.), Prof. Hardy Gross (MPI Halle), Prof. Steve G. Louie (UC Berkeley). [Photo: with Prof. A. Oshiyama, Prof. E. K. U. Gross, YT, and Prof. R. Car (from left to right).]
Dec 14: Dr. Ikutaro Hamada joined Prof. Giulia Galli group at the University of Chicago.He will stay there as a visiting scientist for 1 year, keeping the MANA scientist position in the NSCS group. [Photo: A send-off party for Dr. Ikutaro Hamada at an Indian restaurant in Tsukuba.]
Nov 14 YT, HK, KS, ZF, YO, JH, LZ, MC attended FON'14 international Symposium for celebration of Prof. Aono's 70 years old and memory of Prof. Heinrich Rohler at MIRAIKAN in Daiba, Tokyo. All the people gave poster presentations.
Nov 14: YT, KS, JH and Dr. Yukihiro Okuno (FUJIFILM Co.) attended the 55th battery symposium in Japan held at Kyoto International Congress Hall. KS and JH gave oral talks on "highly-concentrated electrolyte" and "all solid state LIB" in the symposium. We had lots of discussion with the other participants.
Nov 14: JH gave an oral talk in the 40th solid-state ionics meeting held at Tokyo Inst. Tech., Oookayama, Tokyo.
Nov 14: YT gave an invited talk at the 4th symposium of CCMS, ISSP, The University of Tokyo, held at ISSP, Kashiwa.
Nov 14: YT succeeded in organizing a CECAM-like workshop in Japan together with his colleagues including Dr.Tetsuya Morishita (AIST), Dr. Motoyuki Shiga (JAEA), Prof. Ayori Mitsutake (Keio), Prof. Wataru Shinoda (Nagoya), Prof. Kenji Yasuoka (Keio), Prof. Masuhiro Mikami (Keio), Prof. Masaharu Isode (NIT), Prof. Noriyuki Yoshii, Prof. Hisashi Okumura (IMS), and organizing many discussions with the distinguished professors in NIMS together with Dr. Hiori KIno, Dr. Ikutaro Hamada (both in the NSCS group) and Dr. Tsuyoshi Miyazaki. [Photo: with Prof. Kiyoyuki Terakura, Dr. Bernd Ensing, Mrs. Brenda Klein, Prof. Michael L. Klein, YT and Prof. Michele Parrinello (from left to right).]
Nov 14: We organised a NIMS Computational Materials Science (CMS) Workshop "Modeling and Simulation of Complex Matters", where Prof. Michele Parrinello (ETH Zurich), Prof. Michael L. Klein (Temple Univ.), Prof. Takao Kotani (Tottori Univ.), Dr. Bernd Ensing (Univ. of Amterdam), Prof. Kiyoyuki Terakura (NIMS/AIST), and several NIMS speakers including IH and KS gave talks. Although the size was small, we had pretty intensive discussions among the audience including the NIMS president.
Nov 14: Prof. Michele Parrinello (ETH Zurich) and Dr. Bernd Ensing (Univ. of Amsterdam) stayed in the NSCS group for cutting-edges of the metadynamics sampling and electrochemical application. We then had a group dinner where Prof. Stefan Bluegel (Forschungszentrum Jülich, Germany) also kindly attended. [Photo: with Prof.Kiyoyuki Terakura, Prof. Stefan Blugel, Prof. Michele Parrinello, Dr. Bernd Ensing, and the NSCS group members]
Nov 14: For 10-11 November 2014, International Symposium on Extended Molecular Dynamics and Enhanced Sampling (NOSE30) was held at the Mita Campus in Keio University where Prof. Shuichi Nose worked before he passed away. YT played a role of vice-chair in the organising committee. We, the organising committee, aimed at organising the symposium on the cutting-edge theory for sampling as well as reminding us how to invent a new theory referring to the episode upon the birth of Nose dynamics. We also aimed to organise a symposium like a CECAM workshop for focused topic. We believe that NOSE30 was quite successful in this point of view.
Nov 14: Prof. Michele Parrinello (ETH Zurich) visited the NSCS group before attending the NOSE international symposium.
Nov 14: Prof. Mark E. Tuckerman (New York Univ.) visited the NSCS group and gave a CMS/MANA seminar talk on searching new polymorphism. We also had intensive discussions with hime. He is invited to NOSE30 international symposium. [Photo: with Prof. Mark E. Tuckerman, Dr. Motoyuki Shiga, and the NSCS group members.]
Nov 14: Dr. Bernd Ensing (Univ. of Amsterdam) visited the NSCS group in advance to NOSE30 international conference. We had several discussions on the metadynamics.
Oct 14: IH gave special lectures on first-principles simulations in Kanazawa University.
Oct 14: IH attended FET2014 held at Kashiwa campus of the University of Tokyo.
Oct 14: YT gave an invited talk about the recent results calculated with the K computer, in the RIKEN AICS workshop for press people, held in Kobe. [Photo: with the other speakers in the workshop; Prof. S. Tenno (Kobe Univ.), Prof. S. Tsuneyuki (The Univ. of Tokyo), Prof. O. Sugino (The Univ. of Tokyo), Prof. K. Hirao (RIKEN AICS) and Prof. K. Yamashita (The Univ. of Tokyo) (from left to right)]
Oct 14: YT gave an invited talk about DFT calculations of battery components in the 5th open symposium of the ESICB, Kyoto University.
Oct 14: KS visited Dr. Kevin Leung group, who is a leading DFT scientist on lithium ion battery, at Sandia National Laboratory, Albuquerque, US, and gave a seminar. Also he had a lot of intensive discussions with his group members.
Oct 14: KS gave an oral talk on the super concentrated electrolyte in the 226th meeting of the electrochemical society, held in Cancun, Mexico.
Sep 14: YT gave an invited talk about DFT calculations of solid-liquid interfaces in the young scientist workshop of the Japanese Society for Synchrotron Radiation Research, held in the Kashiwa campus, The Univ. of Tokyo. He had lots of intensive discussions with the experimentalists.
Sep 14: YT gave an invited talk in the 10th Japan-France Joint seminar on battery, held in Hakone. He had a lot of substantial discussions with the leading scientists in the battery community.
Sep 14: KS, YO, LS, KA attended the Molecular Science Meeting held in Hiroshima Univ., and gave the presentations.
Sep 14: IH and JH attended the JPS meeting held in Chubu Univ., and gave presentations.
Sep 14: YT and LS visited Dr. Stefano Fabris, SISSA, Trieste, Italy, and YT gave a department seminar in front of Prof. Stefano Baroni etc. They also had extensive discussion with Dr. Stefano fabric and the group members for our collaboration projects. [Photo: with Dr. Stefano Fabris, Dr. Matteo Farnesi Camellone, Dr. Fabio Ribeiro.]
Sep 14: YT gave an invited talk in the 3rd TYC (Thomas Young Centre) energy materials workshop, held at UCL, London, UK. He had lots of discussions with people from Cambridge, London as well as continental Europe.
Sep 14: LS attended the ECOSS30 Conference, held in Antalya, Turkey, and gave a poster presentation.
Sep 14: YT and ZF attended the 65th annual meeting of the International Society of Electrochemistry, held at EPFL, Lausanne, Switzerland, and gave presentations. In the conferences, they had many discussions with leading computational scientists such as Dr. Jun Cheng, Prof. Jan Rossmeisl, Prof. Mark Koper. They also visited CCMX summer school at EPFL, and discussed with Dr. Bernd Ensing, Prof. Michele Ceriotti, etc.
Aug 14: IH, JH, KS, ZF, YO, LS, HK, YT attended the CSW2014 workshop organized by AIST. IH gave an invited talk on DFT treatment of van der Waals interaction, JH gave a contributed talk on all solid state lithium ion battery, and KS, ZF, YO, LS contributed to the poster presentations.
Aug 14: Ms. Yuko Teramae, an undergraduate student in Ochanomizu Univ., joined the NSCS group for her three-week NIMS internship.
Aug. 14: YT gave an invited talk in the symposium 'Modelling and Simulations of Electrochemical Interfaces and Materials for Energy Storage' organised by Dr. Oleg Borodin and Dr. Kevin Leung, in the 248th ACS national meeting, San Francisco. YT had lots of discussions with many researchers such as Prof. M. Sprik, Prof. F. De Angelis, Prof. A. Selloni, Prof. G. Galli, Prof. M. Sulpizi, etc. [Photo: with the symposium organisers; Dr. Oleg Borodin (left) & Dr. Kevin Leung (right)]
Aug. 14: YT visited Lawrence Livermore National Laboratory, and had discussions with Dr. Tadashi Ogitsu and several people in the quantum simulation group.
Aug. 14: IH attended a kick-off meeting of JSPS project on "3D active site science" held in Sapporo.
Aug. 14: HK attended a condensed-matter theory workshop held in Tokyo Univ. of Science.
July 14: YT & ZF attended Tamao-CREST meeting held in Nasu, and ZF gave a poster presentation.
July 14: First DFT(+U) calculations of oxide cathode - sulfide solid electrolyte interfaces in all solid-state lithium ion battery (ASS-LIB) reveal that the growth of interfacial space-charge layer can be a main origin of the interfacial resistance,crucial for the ASS-LIB performance. This work was issued as a press release.
July 14: Prof. Mark E. Tuckerman (New York U) gave a theory seminar in ISSP, The University of Tokyo, and we had some discussions. He stayed at Dr. Motoyuki Shiga group in JAEA as a JSPS fellow for about 3 weeks. [Photo: with Prof. Mark E. Tuckerman (New York Univ.), Dr. Motoyuki Shiga (JAEA), Dr. Tetsuya Morishita (AIST), Dr. Tsutomu Kawatsu (Yokohama City Univ.) etc.]
June 14: Dr. Anderson Janotti (UC Santa Barbara) visited the Optical and Electronic Materials Unit (Dr. Naoki Ohashi director), and the NSCS group in NIMS. We had intensive discussion about defects and interfaces of metal oxides. [Photo: with Dr. Naoki Ohashi Unit Director, Dr. Anderson Janotti (UCSB), Dr. Takeo Osawa, Dr. Yoshiki Iwazaki (Taiyo Yuden) ]
June 14: YT was invited to STAC-8, held in Yokohama, and gave an invited talk on the DFT simulations of Lithium Ion Battery. YT also had extensive discussions with the participants.
June 14: Dr. Nicolae Atodiresei (Forschungszentrum Jülich, Germany) visited IH and the NSCS G, and gave a CMS/MANA seminar. He stayed here for a couple of days, and we had intensive discussions. [Photo: At the joint welcome Party for Dr. Martin Callsen & Dr. Nicolae Atodiresei]
June 14: IH played a role of chief organiser of the 8th GREEN symposium (international) held at the Namiki site, NIMS.
June 14: Dr. Martin Callsen (MC) joined the NSCS G as a NIMS postdoctoral fellow from Forschungszentrum Jülich, Germany. Officially, he belongs to the Hamada (IH) team, NIMS-GREEN.
May 14: YO attended Theoretical Chemistry Meeting held at Nagoya Univ. and gave a poster presentation.
May 14: We had a welcome lunch for Dr. Saurabh Srivastava at a vegetarian restaurant in Tsukuba.
May 14: YT gave an invited talk in the computational chemistry seminar in Japan Association for Chemical Innovation (Chiyoda-ku, Tokyo).
May 14: Dr. Saurabh Srivastava (SS) joined the NSCS G as a NIMS postdoctoral fellow from Indian Institute of Technology, Kanpur, India. Officially, he belongs to the Kino (HK) team, NIMS-MANA.
Apr 14 Dr. Stefano Fabris (CNR-Democritos & SISSA) visited the NIMS MANA NSCS group for the intensive discussion of our collaboration on metal oxides.
Apr 14 YT, IH, KS, ZF & LS attended the QUANTUM-ESPRESSO tutorial held at the Hongo Campus, The University of Tokyo, and had several discussions with Prof. Paolo Giannozzi (Univ. of Udine), Dr. Stefano Fabris (CNR-Democritos) & Prof. Stefano Baroni (SISSA).
Apr 14 Special Open Lectures in the NIMS CMS seminar series were given by Prof. Michiel Sprik, University of Cambridge, UK. Prof. Kiyoyuki Terakura, invited him to Tokyo Institute of Tech.. However, Terakura-sensei is a research adviser in NIMS now as well. So he and YT organized these advanced lectures on computational electrochemistry in NIMS MANA. [ Photo: with Prof. Michiel Sprik, Prof. Kiyoyuki Terakura.]
Apr 14 Joint HANAMI (under cherry blossoms in full bloom) lunch of the NSCS group and Dr. Wakabayashi & Dr. Miyazaki groups was held at Bampaku Kinen Koen park. [Photo: Members of the NSCS group and Wakabayashi & Miyazaki groups]
Mar 14 KS gave an invited talk on Recent DFT works on Dye-Sensitized Solar Cells in the NIMS Open Innovation Center workshop, held in NIMS.
Mar 14 YT and IH gave invited talks in symposiums in the Japan Physical Society 2014 Spring Meeting held in Tokai University
Mar 14 Our paper, in collaboration with the experimentalists, on new concept of efficient electrolyte for lithium ion battery was published in J. Am. Chem. Soc.
Mar 14 YT and ZF attended the JST-CREST international symposium on diamond chemistry, organised by Prof. Y. Einaga, at Yagami Campus, Keio University. YT gave an invited talk and ZF gave a poster presentation. Also we had interesting discussions.
Mar 14 YT and IH visited Prof. Michael L. Klein, Prof. John P. Perdew, Prof. Adrienn Ruzsinszky, and Prof. Xifan Wu at Temple University, Philadelphia for discussion of future collaboration. IH gave a Physics Department Seminar, organized by Prof. John P. Perdew. We will have some functional projects near future. [Photo: with Prof. Michael L. Klein]
Mar 14 JAL flight for San Francisco, in which YT was on board, took an emergency landing at Honolulu airport. [Photo: The route taken and the engine shut down of the aircraft (Bf Tokyo, and gave a poster presentation.
Feb 14 Dr. Johan Scheers, assistant professor in Chalmers University of Technology, Sweden, stayed in the NSCS group and had intensive discussion on our collaboration project about the battery. [Photo: Welcome party for Johan (& Lucie) at Taisho.]
Feb 14 Prof. Isao Tanaka, Kyoto University, visited NIMS and gave a lecture on materials informatics. Most members in the NSCS Group attended the lecture.
Feb 14 YT gave a talk of our Lithium Ion Battery project using K computer for general audience in the 17th town meeting 'What's the K computer?' at Kumamoto Tersa, in Kumamoto-shi, organised by RIKEN AICS. Over 300 people kindly attended.
Feb 14 KS gave an invited talk in the 3rd ESICB symposium held in Kyoto University.
Feb 14 HK attended the 8th CMSI workshop for collaborations among universities, institutes & industries, held in famous Akihabara, Tokyo.
Feb 14 IH attended Surface Science Workshop held at Tokyo Univ. of Science.
Jan 14 YT, HK, IH, KS, ZF, YO, JH attended TNTJapan 2014 held at Tokyo BigSight, and YT gave a talk.
Jan 14 KS gave an invited talk at Super Computer Workshop 2014 held at Okazaki Conference Centre, IMS, and had intensive discussion.
Jan 14 YT gave an invited talk at 'One Day Workshop on Chemical Reactions at Surfaces and Interfaces' held in the Suita Campus, Osaka University, and had intensive discussions on computational analysis of interfaces. [Photo: Prof. Kazuto Akagi, YT, Prof. Jens Norskov, Prof. Tamio Oguchi, & Prof. Yoshitada Morikawa (from left to right)]
Jan 14 YT and KS attended battery field meeting in ESICB, Kyoto University.
Jan 14 HK and IH attended a study group on cooperation of computational materials science and mathematics toward smart materials design, held in JST Ichigaya.
Dr. Lucie Szabova (LS) joined the NSCS G as a NIMS postdoctoral fellow from Charles University in Prague, Czech. She belongs to the Tateyama (YT) team, NIMS-MANA.
Dec 13 IH was invited to a computational workshop organized by Prof. Oguchi and Prof. Morikawa groups in Osaka University, and gave an invited talk.
Dec 13 YT, IH, KS, and JH attended GREEN symposium held in Takebashi, Tokyo, and got useful information.
Dec 13 Prof. Nenad Marckovic, a Leader in Materials Science Division at Argonne Nat'l Labo. and Deputy Director of Research, JCESR (Joint Centre for Energy Storage Research), visited NIMS-GREEN. YT and IH had an in-depth discussion with him in NIMS.
Dec 13 YT gave an invited lecture in a Battery Materials Workshp, held in Tokyo Univ. of Science in Tokyo, and had a lot of useful discussions.
Dec 13 Mr. Martin Callsen, in Prof. Stefan Blugel group in Forschungszentrum Julich, Germany, stayed in the NSCS group and gave a talk in the CMS seminar. IH has a discussion of potential collaboration with him.
Dec 13 IH and KS gave invited talks in the ISSP supercomputer and CMSI joint workshop, held at ISSP, The University of Tokyo.
Dec 13 YT gave a poster presentation at the 20th photocatalysis workshop held in Komaba II campus, The University of Tokyo.
Dec 13 YT and ZF attended the 5th Japan-Czech-Slovakia International Symposium on Theoretical Chemistry at Todai-ji Culture Centre in Nara, and gave invited poster presentations. We also had several discussion with the participants, especially from Japan and Czech.
Nov 13 YT gave an invited talk on DSC in the Intl Conf on Dye-sensitized Solar Cell (DSC), held at NIMS, organised by Dr. L. Han. We had several meaningful discussion.
Nov 13 YT gave an invited talk on LIB in the 7th CMSI workshop for collaborations among universities, institutes & industries, held in famous Akihabara, Tokyo, organised by Dr. M. Otani & Y. Asai. We had a lot of exchange of useful information with the other speakers and the participants.
Nov 13 Temple Univ-NIMS workshop on advanced materials and nanotechnology was held at the WPI-MANA, NIMS. HK, IH and YT gave talks in the theoretical/computational session where Prof. Michael L. Klein, Prof. John P. Perdew, Prof. Adrienn Ruzsinszky, and Prof. Xifan Wu also gave talks. We have enjoyed discussion on the DFT fundamental and the beyond DFT. [Photo: Dr. Xifan Wu, YT, Prof. J. P. Perdew, IH (from left to right)]
Nov 13 YT and KS attended the 3rd ESICB symposium held in the Katsura Campus, Kyoto University.
Nov 13 IH and LS attended ACSIN-12 & ICSPM21 held at Tsukuba Epocal. IH gave a talk and LS gave a poster presentation. We had a dinner with our old friend, Prof. Gianfranco Pacchioni (Univ. MIlano-Bicocca).
Oct 13 YT and IH gave invited talks on energy applications and van der Waals functional, respectively, in the 16th Asian Workshop on First-Principles Electronic Structure Calculations (Asian-16), held in Beijing, China. We have also had many discussions with the participants from China, South Korea, and Japan. Also we have discussed with the invited speakers from US and Europe such as Hardy Gross (MPI Halle), John Tse (Saskatchewan), Dario Alfe (UCL). [Photo: YT & IH with the workshop board.]
Oct 13 YT attended the CMSI International Conference 2013 (Univ. Tokyo), and had intensive discussions with Dr. Luigi Genovese (CEA, Grenoble), Prof. Jan Rossmeisl (TUD, Copenhagen) and the others. [Photo: with Prof. Jan Rossemeisl, Prof. O. Sugino (Univ. Tokyo), and the members of Prof. K. Yamashita group (Univ. Tokyo).]
Oct 13 YT, IH, KS, and JH attended the 54th Battery Symposium in Japan, held in Osaka, and had a lot of discussions with the experts.
Oct 13 LS completed the stay in the NSCS group and went back to her original group in Charles University in Prague, Czech Republic. [Photo: Farewell party for Ms. Lucie Szabova at our favourite Yakitori pub.]
Sep 13 IH attended the Japan Physical Society 2013 Fall Meeting held in Tokushima.
Sep 13 YT, KS, and YO attended the Annual Meeting of Japan Society for Molecular Science (2013), held in Kyoto, and YT gave an oral talk on free energy calculations.
Sep 13 YT attended the 112th Catalysis workshop in Japan (Akita Univ.) and gave an oral talk on carbon electrodes.
Sep 13 ZF, LS, and IH attended the 2013 JSAP-MRS Joint Symposia, Symposium L 'High-Performance Computing and Electronic Structure Calculations in Materials Research' (Doshisha Univ. Kyoto). ZF and LS gave oral presentations.
Sep 13 YT attended the 64th annual meeting of International Society of Electrochemistry, and gave an oral talk on photocatalysis. He also had discussions with many cutting-edge people like Prof. P. Balbuena and Prof. M. Gratzel. [Photo: with Prof. K. Uosaki (NIMS), Prof. K. Murakoshi (Hokkaido), Dr. Y. Ando (Univ. Tokyo), and D. T. Masuda (JST-PRESTO)]
Sep 13 HK attended the 37th Annual COnference on Magnetics in Japan (Sapporo).
Sep 13 YT attended CPMD workshop Leipzig 2013 (Leipzig, Germany), gave a poster presentation on Lithium Ion Batteries, and had a lot of discussions about update topics and techniques with many friends in the CPMD community. [Photo: Birthday anniversary talk of Prof. M. Sprik (Cambridge) ]
Sep 13 ZF attended Intl Conf on Diamond and Carbon Materials (Riva del Garda, Italy), and gave an oral presentation.
Aug 13 Dr. Stefano Fabris (CNR-IOM DEMOCRITOS & SISSA) stayed with us in MANA for about 2 weeks and had many discussion about catalytic reactions on metal oxide interfaces and use of DFT+U/hybrid functionals. He also gave a talk in The University of Tokyo. [Photo: with Prof. Shinji Tsuneyuki (The University of Tokyo) and Dr. Stefano Fabris in Department of Physics, The University of Tokyo (left); the NSCS group members with Dr. Stefano Fabris and Ms. Tomoko Tsuda, our new secretary in Torikichi (right)]
Aug 13 YT gave lectures on free energy calculations of redox reactions and DFT-MD analysis of interfaces in photocatalysis, dye-sensitized solar cell and lithium ion batteries in the CMSI summer school held in Zao, Yamagata.
Aug 13 Our paper on free energy of Lithium Ion Battery reactions is published in JACS.
July 13 YT attended the 1st Hayashi Conference on surface science, held in Hayama, Kanagawa pref. YT did a moderator for Prof. U. Diebold talk, gave a poster presentation, and had a lot of discussions with the international participants. [Photo: with Prof. Maki Kawai (RIKEN) and Prof. Ulrike Diebold (Vienna Univ. of Tech.)].
July 13 IH attended the JSPS computics project workshop held at Hongo campus, The Univ. of Tokyo, and gave a presentation.
July 13 YT attended PI meeting of ESICB, Kyoto Univ.
July 13 The NIMS conference was held at Tsukuba Epocal and many of us attended.
June 13 HK attended the 3rd ESICMM workshop held in Chuo Univ.
June 13 The 6th NIMS GREEN symposium was held in NIMS. IH was a member of the organising committee and many of us attended.
June 13 YT and ZF attended CREST team meeting held at Hiyoshi Campus, Keio Univ.
June 13 KS, YO, JH attended Tsukuba Organic Solar Cell Workshop held in Univ. of Tsukuba and KS gave a poster presentation.
June 13 IH attended JSPS Core-to-Core Program International Workshop held in Awaji, Hyogo, and gave an invited talk.
June 13 Ms. Tomoko Tsuda has become the group secretary.
June 13 Prof. Vladimir Matolin (Charles Univ. Prague) visited us and discussed with LS and YT.
May 13 Prof. Kazuto Agagi (WPI-AIMR, Tohoku Univ.) visited us and gave a talk in the CMS/MANA seminar series. We have also discussed DFT calculations of interfacial phenomena in terms of methodology as well as application. [Photo: the NSCS group members with Prof. Kazuto Akagi]
May 13 YT, KS, YO & JH attended OPV workshop organised by Dr. L. Han (Director of Photovoltaic Unit, NIMS) and had discussion with the lecturers.
May 13 ZF and LS attended the theoretical chemistry workshop held in Fukuoka and gave poster presentations. KU and KA (visiting researcher and research associate in the NSCS G) also gave poster presentations.
May 13 Prof. Y. Einaga (Keio University) visited the NSCS group for the collaboration discussion with YT and ZF.
Apr 13 IH visited Prof. Oguchi group at ISIR, Osaka University for the collaboration discussion.
Apr 13 Welcome and Thank-you party of the NSCS group was held at Menyou [Photo: (from left to right) Hiori Kino, Keitaro Sodeyama, Koharu Aikawa, Rumiko Enjoji, Jun Haruyama, Yoshitaka Tateyama, Yusuke Otani, Lucie Szabova, Irene Abe, Zdenek Futera & Ikutaro Hamada]
Apr 13 HK visited Prof. Kotani group in Tottori University for the collaboration discussion.
Apr 13 HK visited Prof. Oda group in Kanazawa University for scientific discussion.
Apr 13 HK gave a presentation at WS on Recent Developments of Current-driven Magnetization Dynamics held in Osaka Univ.
Apr 13 Joint HANAMI lunch of the NSCS group and Dr. Wakabayashi group was held at Ottonuma Koen park. [Photos: Members of the NSCS group and Wakabayashi group]
Apr 13 Dr. Ikutarao Hamada joined the NSCS group as a staff member. Dr Jun Haruyama and Dr. Yusuke Otani joined as NIMS postdocs. Also the group secretary changed from Ms. Rumiko Enjoji to Ms. Irene Abe.
Mar 13 RJ and KS attended the meeting of electrochemical society of Japan @ Tohoku University, and RJ gave an oral talk on his recent theoretical analysis.
Mar 13 YT and HK attended the JPS March meeting @ Hiroshima University, and YT gave a contributed talk.
Mar 13: YT and KS attended the ESICB symposium held at the Katsura Campus, Kyoto University
Mar 13: YT and KS attended the HPCI WS held in Kasumigaseki
Mar 13: Prof. Mike Klein (Temple University) visited NIMS as a member of international advisory board. YT have talked to him about several matters.
Feb 13: MANA International Symposium was held at the EPOCAL Tsukuba. [Photos: (left) with Prof. Akira Suzuki (Hokkaido Univ.: Nobel Laureate), Prof. Kohei Uosaki (NIMS MANA), Prof. Hiroshi Imahori (Kyoto Univ.) Dr. Yuji Okawa (NIMS MANA) and the members of the NSCS group & the Wakabayashi group, (right) with Prof. J. Georg Bednorz (IBM Zurich: Nobel Laureate)]
Feb 13: Dr. Ikutaro Hamada (WPI-AIMR, Tohoku Univ.) visited us and gave a talk in the CMS/GREEN seminar series. We also had several discussions on the interface calculations.
Feb 13: RJ attended the CMSI workshop held in Kanazawa University.
Feb 13: HK visited Prof. Takao Kotani in the Tottori University for their collaboration.
Feb 13: YT and KS were staying at the ESICB, Kyoto University (in the Katsura Campus) for the ESICB meetings and activities. [Photos: (left) with Prof. Hiromi Nakai (Waseda Univ./ESICB Kyoto Univ.) and Mr. Okoshi, and (right) with Dr. Johan Scheers (Chalmers Univ. of Tech/MANA NSCS G).
Feb 13: A party of Nano Interface Unit to which the NSCS group belongs was held in MANA, NIMS. [Photo: with Prof. Kohei Uosaki, the Unit director, Ms. Rumiko Enjoji, our secretary, and the NSCS group members]
Feb 13: Dr. Johan Scheers (Chalmers University of Technology, Sweden) joined the nscs group as a JSPS foreign researcher fellow. We addressed the research on the electrolyte in LIB.
Jan 13: Prof. Tetsuya Taketsugu (Hokkaido Univeristy) visited us and had discussions about excited states dynamics. He also gave a talk in the CMS/GREEN seminar series.
Jan 13: HK attended "QS2C Theory Forum 2013" held at the Hongo Campus, The University of Tokyo.
Jan 13: Dr. Ryosuke Jinnouchi (Toyota Central R&D Labs,, Inc.) visited us and gave a talk in the CMS/MANA seminar series. We have also intensively discussed how to deal with interfacial double layers via ab-initio calculations, which is crucial for a variety of electrochemistry.
Jan 13: HK was invited to Prof. Sawa Group, Nagoya University for research discussion.
Jan 13: YT visited Dr. Jochen Blumberger Group, Dept. Physics & Astronomy, University College London, UK and gave a talk in the seminar as well as had intensive discussion on our collaboration.
Jan 13: KS, MS and RJ attended the ISSP workshop and gave poster presentations.
Jan 13: YT gave an invited talk in German-Japanese International Workshop "Structure and Control of Interface" held at Magnus-Haus, Berlin Germany, and had many discussion with Prof. Angelos Michaelides (UCL), the counterpart, and other participants. We have also visited Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin. [Photo with Dr. Ataka (FUB), and Prof. Angelos Michaelides (UCL)]
Jan 13: KS graduated the NIMS postdoctoral fellow position, and became a project researcher, Elements Strategy Initiative for Catalysis & Batteries (ESICB), Kyoto Univerisity. But he is still working in the NSCS group for a while.
Apr 2019: YT gave an invited talk at the symposium ES04 “Solid-State Electrochemical Energy Storage”, organised by Prof. Jeff Sakamoto (U Michigan), Prof. J. Rupp (MIT), Prof. J. Janek (U. Giessen), & Dr. K. Takada (NIMS), in 2019 MRS SPRING MEETING & EXHIBIT.[ Photo: At the invited speakers dinner]
Apr 2019: Prof Michiel Sprik (Univ. Cambridge) visited the IFCS group and had intensive discussion about computational studies on interface issues. Prof. Osamu Sugino (Univ. Tokyo) and Dr. Minoru Otani (AIST) kindly joined us. [Photo: Prof. M. Sprik, Prof. O. Sugino, Dr. M. Otani and the group members.]
Apr 2019: We had a group lunch under cherry blossoms in full bloom (in NIMS). [Photo: the group members and friends.]
Jan 2019: YT gave an invited talk in CSW2019, held in Tokyo, organised by AIST FDMat, and had interesting discussions with Prof. Roberto Car, Prof. Hardy Gross, Prof. Michele Pavanello, Prof. Steven G. Louie, Prof. Hirofumi Sato, and Dr. Yoshi Minamoto [Photo: with the invited speakers on a SUMO circle.]
Dec 2018: We had a farewell party for Dr. Lucie Szabova, Dr. Dominic Gerlach, and Tim, as well as the 2018 year-end party. We greatly appreciate Lucie-san’s contributions for five years. We wish her family happiness and success in the future.
Nov 2018: Prof. Michiel Sprik (Univ. of Cambridge) visited us, and gave a talk on electromechanics. Dr. M. Otani and Prof. K. Terakura also joined, and we had discussions on the theory intensively. [Photo: Prof. M. Sprik with AI, RJ & YT]
Sep 2018: The IFCS / BM group BBQ party was organised at Ninomiya-house. We enjoyed interesting drinks and thick steaks. [Group photo]
Aug 2018: EPFL student tour, guided by Prof. Michele Ceriotti, was held in NIMS Namiki site, and YT played the organiser role in the NIMS side. RJ gave his MI studies on battery materials. Several members of the group also contributed to the organisation. [Group photo]
Aug 2018: YT, RJ and BG visited Prof. Yanming Ma at Jilin University, Changchun, China for collaboration on the CALYPSO application to the battery issues. We had lots of detailed discussions on future targets as well. [Photo: Prof. Yanming Ma, Prof. David Singh with BG, RJ & YT]
Jul-Aug 2018: Prof. Jer-Lai Kuo and Dr. Yun-Wen Chen, Academia Sinica, Taipei, visited us for the kick-off of our MOST-NIMS bilateral program for the coming 2 years. We had intensive discussions about simulation studies on interesting energy issues. [Photo: Prof. Jer-Lai Kuo, Dr. Yun-Wen Chen, Dr. T. Miyazaki, Dr. A. Nakata and the IFCS/BM members]
June 2018: YT was invited by Prof. Patrick H. L. Sit to City Univ. of Hong Kong under the oversea professor invitation program. In addition to Prof. Sit, YT met his friends, Prof. Masaru Yarime and Prof. Denis Y. W. Yu as well. YT gave a seminar in School of Energy and Environment, and had lots of interesting discussion with the faculties and students in City U. [Photo: with Prof. Patrick H. L. Sit on the peak of the Hong Kong island]
June 2018: YT, RJ, HMNA, AC as well as GS, BG, SI attended the IMLB2018, held at International Conference Center Kyoto in Kyoto city. We gave several poster presentations as well as had fruitful discussions with the many experimentalists in the meeting. [ Photo: in the group party at a Russian restaurant near Kamo-gawa river]
June 2018: We organised a welcome party for Dr. Xichan Gao after the group meeting on 4 June. She will work with Prof. Kazuto Akagi in Tohoku Univ., who also attended the party as well. [Photo: Prof. Kazuto Akagi, Dr. Xichan Gao + the members and colleagues of the IFCS group.]
May 2018: YT gave an invited talk in Simulations (and theory) in Physical chemistRy: an International Kermesse in Paris (SPRIK 2018), cerebrating 65th birthday of Prof. Michiel Sprik, held at Ecole Normale Superieure, Paris, France. YT enjoyed lots of interesting talks and meeting old friends. On top of that, YT appreciated Prof. Marie-Pierre Gadget (U Evry val D’Essonne), Prof. Marialore Sulpizi (Johannes Gutenberg U Mainz), and Prof. Rodolphe Vuilleumier (Ecole Normale Superieure Paris) for their wonderful organisation. [Photo: At a tea time.]
Apr 2018: Symposium EN01 "Solid-Solid Interfaces in Batteries, Energy Storage and Conversion—Diagnostic and Modeling” in 2018 MRS SPRING MEETING & EXHIBIT (2-6 April 2018, Phoenix), which YT co-organised with Dr.Kevin Leung (Sandia), Prof. Yue Qi (Michigan State) & Prof. Bruce Dunn (UCLA), was successfully finished. YT appreciated the invited speakers from Japan: Dr. Kazunori Takada (NIMS), Prof. Taro Hitosugi (Tokyo Inst. Tech.), Prof. Akitoshi Hayashi (Osaka Pref. Univ.), Prof. Yasutoshi Iriyama (Nagoya Univ.) and Prof. Yuich Ikuhara (The Univ. of Tokyo) for their considerable contributions. We had many critical but essential discussions throughout the symposium. YT as well as RJ and KS gave contributed talks in this session. [Photo; 3 organisers: Dr. Kevin Leung, Prof. Yue Qi and YT.]
Dec 17: YT won the “Best Use of HPC in Manufacturing” of HPCwire 2017 Readers Choice Awards together with RIKEN AICS for the achievements of "clarifying long-standing issues and advance development of next-generation batteries”. [Photo: with Prof. Kimihiko Hirao (Director of RIKEN AICS)]
Oct 17: “CPMD2017 workshop" was held in Tsukuba! YT played a co-chair role in the organising committee, and IH & KS contributed as the members. We had lots of interesting invited talks, posters and discussions. We also had a special session for Prof. Roberto Car’s 70th birthday. For detail, please visit 
CPMD2017 Workshop webpage. [Photos: (left) A group photo of CPMD2017 Workshop, (middle) Prof. Michele Parrinello (ETH & USI) and Prof. Roberto Car (Princeton), (right) Prof. Jochen Blumberger (UCL), Prof. Marialore Sulpizi (Mainz), Prof. Jun Cheng (Xiamen) and YT.]
June 17: YT attended PASC17 (Platform for Advanced Scientific Computing Conference), held in Lugano, Switzerland. He organised two mini symposia, responding to the requests from researchers in Switzerland: (1) Atomistic Simulations of Interfaces; Complex but Deciding and (2) Still Toward First-Principles Simulations on Exascale Supercomputers, and invited Prof. K. Tsuda, Dr. S. V. Levchenko, Dr. M. Otani, Dr. K. Leung, Prof. J. Hutter, Dr. T. Nakashima, Prof. A. Oshiyama, & Prof. S. Goedecker. He also discussed with several friends working on computational researches: Prof. J. VandeVondele, Prof. M. Parrinello, Prof. R. Vuilleumier, Prof. S. Tenno, Dr. L. Ghiringhelli, Prof. A. von Lilienfeld & Prof. M. Ceriotti etc. [Photo: (left) with Prof. S. Goedecker, (right) at the entrance of the venue.]
June 17: RJ and YT attended SSI-21 (Solid State Ionics) held in Padua, Italy. RJ gave an invited talk on machine learning study of oxide electrolyte and YT gave a contributed talk on charge distributions at solid-solid interfaces. YT had many interesting discussions with Prof. Atsuo Yamada, Prof. Shinichi Komaba, Prof. Shirley Meng, Prof. Shyue Ping Ong, Prof. Yue Qi, & Dr. Oleg Bolodin etc. [Photo: with Prof. A. Yamada, Prof. S. Komaba, Dr. D. Asakura, & Dr. E. Watanabe]
June 17: The IFCS-BM group organised a summer BBQ party at Ninomiya House. We enjoyed many drinks and foods like big beef steaks provided by HNA. [Photo: group photo and the steak.]
May 17: YT attended the final lecture of Prof. Kazuhiro Hashimoto, The University of Tokyo, held at the Hongo Campus of The University of Tokyo. YT was a member of JST Hashimoto-PRESTO. [Photo: with Prof. K. Hashimoto and some of the Hashimoto-Kasagi-Hanamura PRESTO members ]
Apr 17: YT attended MRS 2017 SPRING MEETING. It was approved that YT, as well as Dr. Kevin Leung, Prof. Yue Qi, Prof. Bruce Dunn will organise an symposium in MRS 2018 SPRING MEETING.! YT had lots of discussions with many people like Prof. N. Yabuuchi, Prof. K. Tsuda, Prof. T. Oguchi, Dr. K. Leung etc. [Photo: with Prof. Naoaki Yabuuchi]
Apr 17: We had a welcome party to AI, and a farewell party of CK. Dr. Chris Kirkham will leave the IFCS-BM group and go back to UK in the end of April. [Photo: welcome and farewell party]
Apr 17: The IFCS-BM G group had a group lunch under the cherry flowers in the Ninomiya Park. [Photo: the IFCS-BM group, Dr. Sergey Levchenko, and friends.]
Mar 17: IH, JH and HA will leave the IFCS-BM group in the end of March. Dr. Hamada becomes associate professor in Osaka University, Dr. Haruyama moves to a post-doc position in AIST (supervised by Dr. M. Otani), and Dr. AlAssadi will be assistant professor in University of Tsukuba. We had a big (COSTCO) farewell party for them with other GREEN members including Prof. Uosaki, Prof. Miyano and Dr. Kubo. [Photos: (left) the IFCS-BM group, GREEN project members, Dr. Y. Kubo, and Dr. K. Uosaki. (right) Dr. Ikutaro Hamada, Dr. Jun Haruyama, Dr. Hussein AlAssadi.]
Mar 17: T, AC, HSA, and KS attended IBA 2017 held in Nara and had several discussion with the leading researchers. [Photo: Joint dinner with Prof. Yamada and Prof. Okubo group in Nara]
Dec 16: We had a year-end party of the ICFS group in early December. This is also a welcome/farewell party for Dr. Marco Govoni. We enjoyed lots of drinks and foods. In this year, we really did hard works and made lots of progress! [Photo: at the year-end party.]
Nov 16: Dr. Marco Govoni (Arrgonne NL & Univ. Chicago) stayed in the IFCS group as a JSPS foreign researcher hosted by IH. He gave a CMS seminar talk on WEST code (large-scale GW calculation code), and had lots of discussions in the group. [Photo: Dr. Marco Govoni, presenting a talk in the CMS seminar.]
Nov 16: YT gave an invited talk on perovskite solar cell in ENGE2016 held in Jeju, South Korea. He also had lots of discussions with the organisers (Prof. Ki-Ha Hong, Prof. Hyung-Jun Kim & Prof. Seungwu Han) as well as the other invited speakers such as Prof. Jun Cheng. [ Photo: with Prof. Ki-Ha Hong, Prof. Jun Cheng, Prof. Sevastien Lebegue, Prof. HyungJun Kim and his group members @ a fish restaurant]
Oct 16: YT gave a selected oral talk in the NIMS WEEK (@Tokyo International Forum) for outreach of theoretical/computational researches in NIMS. YT also explained the cutting-edge research to a State Minister of Cabinet Office, Japan, as well. [Photo: with Prof. Koichi Mizushima (a winner of NIMS award 2016)]
Oct 16: We had a big welcome party for Dr. Ashu Choudhary joining the IFCS group in September, Dr. Randy Jalem who got JST-PRESTO award since 1 Oct and Dr. Keitaro Sodeyama who became the tenure position in NIMS. [Photo: most of the group members and some friends]
Aug 16: YT gave talks at BASF SE in Ludwigshafen am Rhein and BASF BELLA in Karlsruhe Institute of Technology about his simulation researches on battery materials. He also had fruitful discussions with the members of the battery research divisions of BASF such as Dr. Klaus Leitner and Dr. Balazs Berkes. [Photos: at the BASF SE headquarter in Ludwigshafen am Rhein.]
Jul 16: YT stayed in Prof. Matthias Scheffler group, Fritz-Haber Institute (FHI) of Max-Planck Society, Berlin, Germany for 6 weeks and worked on surface informatics project together with Prof. M. Scheffler and Dr. Sergey Levchenko. In addition to the project, YT had lots of discussion with the members in the Theory Department of FHI such as Dr. Matthias Rupp. [Photos: with Prof. Matthias Scheffler and Dr. Sergey Levchenko & T- and M-buildings (where he worked) of FHI.]
Jun 16: YT gave an invited talk in the IMLB2016 (The 18th International Meeting on Lithium Batteries) held at Hyatt Regency Chicago, Chicago, IL and had lots of discussions with world-leading researchers in the battery community. KS also gave a poster presentation as well. [Photo: with Prof. Atsuo Yamada, Prof. Masashi Okubo, Prof. Yuki Yamada and their group members plus YT and KS for dinner.]
May 16: YT and IH attended CPMD2016 held at University of Chicago. IH is a member of the organising committee chaired by Prof. Giulia Galli and YT is an invited speaker in the workshop. YT and IH have discussed the cutting-edge first-principles simulation techniques with many participants including Prof. Michiele Parrinello, Prof. Annabella Selloni, Prof. Joost VandeVondele, Prof. Rodolphe Vuilleumier, Prof. Angelos Michaelides, Prof. Xinzheng Li, Prof. Sheng Meng as well as Prof. Francois Gygi and Prof. Gilulia Galli. [Photo: with Prof. Giulia Galli and Prof. Michele Parrinello as well as the CPMD2016 board.]
Apr 16: IFCS and BM group welcome party was held in a restaurant in the Q’t, Tsukuba. We have enjoyed the food, drinks and chatting. [Photo: most of the group members and some friends]
Apr 16: We had a HANAMI lunch under cherry trees in full bloom in the Banpaku Kinen Koen Park, Tsukuba, together with people in the first-principles simulation group (Miyazaki group) in MANA. We have enjoyed Bento, Cake, and snacks. [Photo: the members in the IFCS group in GREEN and the first-principles simulation group in MANA]
Apr 16: Upon the NIMS re-organisation on 1 April, the Nano-System Computational Science (NSCS) group, MANA moved to the Interface Computational Science (IFCS) group, Center for Green Research on Energy and Environmental Materials (GREEN). The staff members are now Dr. Yoshitaka Tateyama (GL) and Dr. Ikutaro Hamada. As the IFCS group quite overlaps with the NIMS team of the Battery Materials (BM) group, cMI2, the two groups started the group activities together. The IFCS-BM joint group has 4 newcomers: Ms. Chifumi Nishimoto for the IFCS group secretary, Dr. Shota Iizuka for the catalysis project, Dr. Christopher Kirkham and Dr. Yu Komatsu for the BM group in cMI2. [Photos: the members of IFCS G in GREEN and BM G in CMI2 with some friends at our cafe.]
Mar 16: Prof. Michiel Sprik (Department of Chemistry, University of Cambridge) visited the NSCS group again, and gave a talk in the series of MANA&GREEN Joint Seminar. Besides, we had lots of discussions about how to understand water dissociation and electrochemistry in the DFT framework. [Photo: with Prof. Michiel Sprik and the NSCS group members at a sushi restaurant]
Mar 16: We had a big farewell party for persons leaving the NSCS group: Ms. Koharu Aikawa will get a job in a company. Ms. Ikuko Tsukamoto will move to other groups in MANA, and Dr. Hiroki Kino will move his main position in Center for Materials research by information integration. We also had a second party at the ramen restaurant “toreador" . [Photo: the NSCS group members]
Feb 16: We organised the Welcome Party for Hussein-san and Maofeng-san, and the Welcome back party for IH at one of our favourite Japanese pub in Tsukuba. [Photo: NSCS group members and friends at the pub]
Jan 16: YT and KS visited Dr. Johan Scheers, our collaborator, at Prof. Patrik Johansson group, Chalmers University of Technology in Gothenburg (Goteborg), Sweden. KS gave an invited talk in the mini workshop organised by Prof. Johansson. Both attended several group activities, and had extensive discussion with Dr. Scheers for our collaborations on battery electrolytes. [Photo; Dr. Johan Scheers, Prof. Patrik Johansson, KS and YT (from left to right)]
Dec 15: YT, YO and LS attended Pacifichem2015, held in Honolulu, Hawaii, USA. YT gave two invited talks on diamond electrode and synergistic study on lithium-ion battery. YO and LS also gave poster presentations about dye-sensitised solar cell and ceria interface. YT had lots of discussion there with Prof. Annabella Selloni, Dr. Oleg Bolodin, Dr. Kevin Leung, and Prof. Hiromi Nakai. [Photo: YO, LS and YT (from left to right)]
Oct. 15: Prof. Marc Koper visited Prof. Kohei Uosaki and the NSCS group in MANA, NIMS. He also gave a seminar on theoretical/computational analysis of electrochemical reactions. [Photo: (from left to right) KS, YT, Prof. Marc Koper, Prof. Kohei Uosaki]
Oct. 15: YT gave an invited talk on electrode-electrolyte interface in Lithium-Ion Battery in the 66th annual meeting of the International Society of Electrochemistry (ISE), held in Taipei. He also had several intensive discussion about batteries and interfacial redox reactions with many friends. [Photo: with Dr. R. Jinnouchi]
Sep 15: YT, KS, JH, LS attended Psi-K 2015 conference held at The Kursaal Congress Centre, in San Sebastian, Spain, and gave poster presentations. YT had lots of discussion with many old friends in Europe & US, like Prof. M. Sprik (Cambridge), Prof. Annabella Selloni (Princeton). All of us also had discussion with many participants. [Photo: with Dr. Kevin Leung (Sandia), Dr. Max Amsler (Northwestern) ]
Aug 15: YT gave an invited talk on the DFT analysis of interfacial carrier transport, hysteresis and aging in the CECAM workshop "Perovskite solar cells: the quest for a theoretical description” held at the CECAM HQ, EPFL, in Lausanne, Switzerland. YT had intensive discussions with surface, interface and defects of PSC, with many participants including Prof. Filippo De Angelis, Dr. Edoardo Mosconi, Prof. Aron Walsh, Dr. Wan-Jian Yin, Prof. Ki-Ha Hong, and Prof. Koichi Yamashita etc. [Photo: with Prof. Filippo De Angelis]
Aug 15: YT gave a lecture series “first-principles calculations of redox and electrochemical reactions around solid-liquid interfaces” in the 55th summer school of young scientists in Molecular Science, held at the Hongo Campus, The University of Tokyo. In the lectures, YT explained the fundamentals of DFT for electron transfer, free energy calculation techniques, theories/methods for redox reactions, present status and future perspective of first-principles simulations of interfacial reactions. 14 students attended the YT’s class and all made nice presentations about the essential papers in this field. YT also enjoyed “nomi-nication” in the night sessions as well. YT appreciate all the students in his class, in particular, the class organiser, Ms. Ayako Kubo (Univ. Tokyo). [Photo: (left to right) Takagi, Baba, Yoko, Tanaka, Hayashi, Kubo, Tanimoto, YT, Ohta, Yoshida, Hirata, Umehara, Itoh, Itoh, Emori]
Jul 15: Dr. Zdenek Futera, who has stayed in the NSCS group for almost 4 years, will leave Japan to move to a next position in University College Dublin, Ireland. We had a farewell party for him and his wife, Ola-san. Some friends kindly joined us as well. [Photo: Zdenek & Ola as well as Jan-san, Nakata-san and the NSCS group members.]
Jul 15: YT visited Dr. Teodoro Laino and Dr. Ivano Tavernelli, the main developers of CPMD code, in IBM Research Zurich, Switzerland, and had lots of discussion about tuning of CPMD codes (original and NIMS version) for K computer. We had also several scientific discussion. [Photo: (from left to right) Teo, myself, and Ivano.]
Jun 15: YT and KS received the 7th Germany Innovation Award “Gottfried Wagener Prize 2015” for their achievement of "Theoretical Elucidation of Reaction Mechanism on Electrolyte Interface in Lithium-Ion Battery with Highly-Efficient Use of Supercomputers”. The award ceremony was held at Grand Hyatt Tokyo in Roppongi, Tokyo. [Photo: (from left to right) Hono fellow (Prof.), Fujita vice president, Dr. Sepehri-Amin, Ushioda president (Prof.), YT, KS, Uosaki fellow (Prof.) in NIMS]
May 15: YT visited IH at Prof. Giulia Galli group in the University of Chicago., and gave a talk in the group seminar. Then, YT and IH had lots of discussions about our projects. [Photo: IH and YT at the Inst for Molecular Engineering directed by Prof. Galli.]
May 15: YT, ZF, YO attended the kick-off meeting of JST-ACCEL “diamond electrode” (Director: Prof. Yasuaki Einaga at Keio Univ.) held at the Hiyoshi Campus, Keio Univ.
Mar 15: Prof. Takao Kotani (Tottori Univ.) stayed in the NSCS group mainly for his collaboration with HK. He also gave a talk on the present status of QSGW calculations. [Photo: With Prof. Takao, Kotani, Prof. Michiel Sprik, Dr. Takashi Miyake after the seminar by Prof. Kotani]
Feb 15: Dr. Johan Scheers (Chalmers Univ. of Tech., Goeteborg, Sweden) stayed in the NSCS group for around two weeks to have intensive discussion for the collaboration. [Photo: Welcome party for Ms. Ikuko Tsukamoto, Dr. Johan Scheers, and Ms. Olivia Scheers in the NSCS group coupling with some of MANA admin. people.]
Dec 14: The NSCS group organised a 2014 year-end party with Miyazaki group in CMSU, NIMS in the MANA bldg. We had lots of foods from COSTCO & some restaurants, and mysterious strong liquors. [Photo: members of the NSCS group (except for IH) and Miyazaki group.]
Dec 14: YT gave an invited talk on free energy calculations on K computer and new method to calculate the electron transfer rate for donor-acceptor electron transfer in ISC-QSD2014 held at The Univ. of Tokyo. HK, KS, ZF, YO, JH, LZ, MC also gave poster presentations. We had many intensive discussions with the invited speakers like Prof. Roberto Car (Princeton Univ.), Prof. Hardy Gross (MPI Halle), Prof. Steve G. Louie (UC Berkeley). [Photo: with Prof. A. Oshiyama, Prof. E. K. U. Gross, YT, and Prof. R. Car (from left to right).]
Dec 14: Dr. Ikutaro Hamada joined Prof. Giulia Galli group at the University of Chicago. He will stay there as a visiting scientist for 1 year, keeping the MANA scientist position in the NSCS group. [Photo: A send-off party for Dr. Ikutaro Hamada at an Indian restaurant in Tsukuba.]
Nov 14: YT succeeded in organizing a CECAM-like workshop in Japan together with his colleagues including Dr.Tetsuya Morishita (AIST), Dr. Motoyuki Shiga (JAEA), Prof. Ayori Mitsutake (Keio), Prof. Wataru Shinoda (Nagoya), Prof. Kenji Yasuoka (Keio), Prof. Masuhiro Mikami (Keio), Prof. Masaharu Isode (NIT), Prof. Noriyuki Yoshii, Prof. Hisashi Okumura (IMS), and organizing many discussions with the distinguished professors in NIMS together with Dr. Hiori KIno, Dr. Ikutaro Hamada (both in the NSCS group) and Dr. Tsuyoshi Miyazaki. [Photo: with Prof. Kiyoyuki Terakura, Dr. Bernd Ensing, Mrs. Brenda Klein, Prof. Michael L. Klein, YT and Prof. Michele Parrinello (from left to right).]
Nov 14: Prof. Michele Parrinello (ETH Zurich) and Dr. Bernd Ensing (Univ. of Amsterdam) stayed in the NSCS group for cutting-edges of the metadynamics sampling and electrochemical application. We then had a group dinner where Prof. Stefan Bluegel (Forschungszentrum Jülich, Germany) also kindly attended. [Photo: with Prof.Kiyoyuki Terakura, Prof. Stefan Blugel, Prof. Michele Parrinello, Dr. Bernd Ensing, and the NSCS group members]
Nov 14: Prof. Mark E. Tuckerman (New York Univ.) visited the NSCS group and gave a CMS/MANA seminar talk on searching new polymorphism. We also had intensive discussions with hime. He is invited to NOSE30 international symposium. [Photo: with Prof. Mark E. Tuckerman, Dr. Motoyuki Shiga, and the NSCS group members.]
Oct 14: YT gave an invited talk about the recent results calculated with the K computer, in the RIKEN AICS workshop for press people, held in Kobe. [Photo: with the other speakers in the workshop; Prof. S. Tenno (Kobe Univ.), Prof. S. Tsuneyuki (The Univ. of Tokyo), Prof. O. Sugino (The Univ. of Tokyo), Prof. K. Hirao (RIKEN AICS) and Prof. K. Yamashita (The Univ. of Tokyo) (from left to right)]
Sep 14: YT and LS visited Dr. Stefano Fabris, SISSA, Trieste, Italy, and YT gave a department seminar in front of Prof. Stefano Baroni etc. They also had extensive discussion with Dr. Stefano fabric and the group members for our collaboration projects. [Photo: with Dr. Stefano Fabris, Dr. Matteo Farnesi Camellone, Dr. Fabio Ribeiro.]
Aug 14: IH, JH, KS, ZF, YO, LS, HK, YT attended the CSW2014 workshop organized by AIST. IH gave an invited talk on DFT treatment of van der Waals interaction, JH gave a contributed talk on all solid state lithium ion battery, and KS, ZF, YO, LS contributed to the poster presentations.
Aug. 14: YT gave an invited talk in the symposium 'Modelling and Simulations of Electrochemical Interfaces and Materials for Energy Storage' organised by Dr. Oleg Borodin and Dr. Kevin Leung, in the 248th ACS national meeting, San Francisco. YT had lots of discussions with many researchers such as Prof. M. Sprik, Prof. F. De Angelis, Prof. A. Selloni, Prof. G. Galli, Prof. M. Sulpizi, etc. [Photo: with the symposium organisers; Dr. Oleg Borodin (left) & Dr. Kevin Leung (right)]
July 14: Prof. Mark E. Tuckerman (New York U) gave a theory seminar in ISSP, The University of Tokyo, and we had some discussions. He stayed at Dr. Motoyuki Shiga group in JAEA as a JSPS fellow for about 3 weeks. [Photo: with Prof. Mark E. Tuckerman (New York Univ.), Dr. Motoyuki Shiga (JAEA), Dr. Tetsuya Morishita (AIST), Dr. Tsutomu Kawatsu (Yokohama City Univ.) etc.]
June 14: Dr. Anderson Janotti (UC Santa Barbara) visited the Optical and Electronic Materials Unit (Dr. Naoki Ohashi director), and the NSCS group in NIMS. We had intensive discussion about defects and interfaces of metal oxides. [Photo: with Dr. Naoki Ohashi Unit Director, Dr. Anderson Janotti (UCSB), Dr. Takeo Osawa, Dr. Yoshiki Iwazaki (Taiyo Yuden) ]
June 14: Dr. Nicolae Atodiresei (Forschungszentrum Jülich, Germany) visited IH and the NSCS G, and gave a CMS/MANA seminar. He stayed here for a couple of days, and we had intensive discussions. [Photo: At the joint welcome Party for Dr. Martin Callsen & Dr. Nicolae Atodiresei]
Apr 14 Dr. Stefano Fabris (CNR-Democritos & SISSA) visited the NIMS MANA NSCS group for the intensive discussion of our collaboration on metal oxides.
Apr 14 Special Open Lectures in the NIMS CMS seminar series were given by Prof. Michiel Sprik, University of Cambridge, UK. Prof. Kiyoyuki Terakura, invited him to Tokyo Institute of Tech.. However, Terakura-sensei is a research adviser in NIMS now as well. So he and YT organized these advanced lectures on computational electrochemistry in NIMS MANA. [ Photo: with Prof. Michiel Sprik, Prof. Kiyoyuki Terakura.]
Apr 14 Joint HANAMI (under cherry blossoms in full bloom) lunch of the NSCS group and Dr. Wakabayashi & Dr. Miyazaki groups was held at Bampaku Kinen Koen park. [Photo: Members of the NSCS group and Wakabayashi & Miyazaki groups]
Mar 14 YT and IH visited Prof. Michael L. Klein, Prof. John P. Perdew, Prof. Adrienn Ruzsinszky, and Prof. Xifan Wu at Temple University, Philadelphia for discussion of future collaboration. IH gave a Physics Department Seminar, organized by Prof. John P. Perdew. We will have some functional projects near future. [Photo: with Prof. Michael L. Klein]
Mar 14 JAL flight for San Francisco, in which YT was on board, took an emergency landing at Honolulu airport. [Photo: The route taken and the engine shut down of the aircraft (Bf Tokyo, and gave a poster presentation.
Feb 14 Dr. Johan Scheers, assistant professor in Chalmers University of Technology, Sweden, stayed in the NSCS group and had intensive discussion on our collaboration project about the battery. [Photo: Welcome party for Johan (& Lucie) at Taisho.]
Jan 14 YT gave an invited talk at 'One Day Workshop on Chemical Reactions at Surfaces and Interfaces' held in the Suita Campus, Osaka University, and had intensive discussions on computational analysis of interfaces. [Photo: Prof. Kazuto Akagi, YT, Prof. Jens Norskov, Prof. Tamio Oguchi, & Prof. Yoshitada Morikawa (from left to right)]
Nov 13 Temple Univ-NIMS workshop on advanced materials and nanotechnology was held at the WPI-MANA, NIMS. HK, IH and YT gave talks in the theoretical/computational session where Prof. Michael L. Klein, Prof. John P. Perdew, Prof. Adrienn Ruzsinszky, and Prof. Xifan Wu also gave talks. We have enjoyed discussion on the DFT fundamental and the beyond DFT. [Photo: Dr. Xifan Wu, YT, Prof. J. P. Perdew, IH (from left to right)]
Oct 13 YT and IH gave invited talks on energy applications and van der Waals functional, respectively, in the 16th Asian Workshop on First-Principles Electronic Structure Calculations (Asian-16), held in Beijing, China. We have also had many discussions with the participants from China, South Korea, and Japan. Also we have discussed with the invited speakers from US and Europe such as Hardy Gross (MPI Halle), John Tse (Saskatchewan), Dario Alfe (UCL). [Photo: YT & IH with the workshop board.]
Oct 13 YT attended the CMSI International Conference 2013 (Univ. Tokyo), and had intensive discussions with Dr. Luigi Genovese (CEA, Grenoble), Prof. Jan Rossmeisl (TUD, Copenhagen) and the others. [Photo: with Prof. Jan Rossemeisl, Prof. O. Sugino (Univ. Tokyo), and the members of Prof. K. Yamashita group (Univ. Tokyo).]
Oct 13 LS completed the stay in the NSCS group and went back to her original group in Charles University in Prague, Czech Republic. [Photo: Farewell party for Ms. Lucie Szabova at our favourite Yakitori pub.]
Sep 13 YT attended the 64th annual meeting of International Society of Electrochemistry, and gave an oral talk on photocatalysis. He also had discussions with many cutting-edge people like Prof. P. Balbuena and Prof. M. Gratzel. [Photo: with Prof. K. Uosaki (NIMS), Prof. K. Murakoshi (Hokkaido), Dr. Y. Ando (Univ. Tokyo), and D. T. Masuda (JST-PRESTO)]
Sep 13 YT attended CPMD workshop Leipzig 2013 (Leipzig, Germany), gave a poster presentation on Lithium Ion Batteries, and had a lot of discussions about update topics and techniques with many friends in the CPMD community. [Photo: Birthday anniversary talk of Prof. M. Sprik (Cambridge) ]
Aug 13 Dr. Stefano Fabris (CNR-IOM DEMOCRITOS & SISSA) stayed with us in MANA for about 2 weeks and had many discussion about catalytic reactions on metal oxide interfaces and use of DFT+U/hybrid functionals. He also gave a talk in The University of Tokyo. [Photo: with Prof. Shinji Tsuneyuki (The University of Tokyo) and Dr. Stefano Fabris in Department of Physics, The University of Tokyo (left); the NSCS group members with Dr. Stefano Fabris and Ms. Tomoko Tsuda, our new secretary in Torikichi (right)]
Aug 13 YT gave lectures on free energy calculations of redox reactions and DFT-MD analysis of interfaces in photocatalysis, dye-sensitized solar cell and lithium ion batteries in the CMSI summer school held in Zao, Yamagata.
July 13 YT attended the 1st Hayashi Conference on surface science, held in Hayama, Kanagawa pref. YT did a moderator for Prof. U. Diebold talk, gave a poster presentation, and had a lot of discussions with the international participants. [Photo: with Prof. Maki Kawai (RIKEN) and Prof. Ulrike Diebold (Vienna Univ. of Tech.)].
May 13 Prof. Kazuto Agagi (WPI-AIMR, Tohoku Univ.) visited us and gave a talk in the CMS/MANA seminar series. We have also discussed DFT calculations of interfacial phenomena in terms of methodology as well as application. [Photo: the NSCS group members with Prof. Kazuto Akagi]
Apr 13 Welcome and Thank-you party of the NSCS group was held at Menyou [Photo: (from left to right) Hiori Kino, Keitaro Sodeyama, Koharu Aikawa, Rumiko Enjoji, Jun Haruyama, Yoshitaka Tateyama, Yusuke Otani, Lucie Szabova, Irene Abe, Zdenek Futera & Ikutaro Hamada]
Apr 13 Joint HANAMI lunch of the NSCS group and Dr. Wakabayashi group was held at Ottonuma Koen park. [Photos: Members of the NSCS group and Wakabayashi group]
Feb 13: MANA International Symposium was held at the EPOCAL Tsukuba. [Photos: (left) with Prof. Akira Suzuki (Hokkaido Univ.: Nobel Laureate), Prof. Kohei Uosaki (NIMS MANA), Prof. Hiroshi Imahori (Kyoto Univ.) Dr. Yuji Okawa (NIMS MANA) and the members of the NSCS group & the Wakabayashi group, (right) with Prof. J. Georg Bednorz (IBM Zurich: Nobel Laureate)]
Feb 13: YT and KS were staying at the ESICB, Kyoto University (in the Katsura Campus) for the ESICB meetings and activities. [Photos: (left) with Prof. Hiromi Nakai (Waseda Univ./ESICB Kyoto Univ.) and Mr. Okoshi, and (right) with Dr. Johan Scheers (Chalmers Univ. of Tech/MANA NSCS G).
Feb 13: A party of Nano Interface Unit to which the NSCS group belongs was held in MANA, NIMS. [Photo: with Prof. Kohei Uosaki, the Unit director, Ms. Rumiko Enjoji, our secretary, and the NSCS group members]
Jan 13: YT gave an invited talk in German-Japanese International Workshop "Structure and Control of Interface" held at Magnus-Haus, Berlin Germany, and had many discussion with Prof. Angelos Michaelides (UCL), the counterpart, and other participants. We have also visited Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin. [Photo with Dr. Ataka (FUB), and Prof. Angelos Michaelides (UCL)]
