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NEWS

  • Dec 17: Dr. Randy Jalem (RJ), joined the IFCS-BM group as a permanent staff researcher!
  • Oct 17: “CPMD2017" was held in Tsukuba!
  • 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 Nakamoto (Michigan), and Prof. Denis Yu (Hongkong).
  • 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.
  • 170626-Lugano.jpg170628-Lugano.jpgJune 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. T. Hoshi, 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.]
  • 170621-Padua.jpgJune 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.
  • 170609-BBQ-steak.jpg170609-BBQ-group.jpgJune 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.
  • 170510-Hashimoto.jpgMay 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 Leungat 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.]
  • 170424-Kevin.jpg170417-MRS.jpgApr 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.
  • 170411-Sprik.jpg170411-Party.jpgApr 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.
  • 170405-Hanami-small.jpgApr 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.
  • 170331-KyotoESICB.jpgMar 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.
  • 170322-farewell-2.jpg170322-farewell.jpgMar 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.
  • 170308-IBA.jpgMar 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.
  • 161206-YearEndParty.jpgDec 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.
  • 161128-Marco.jpgNov 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.
  • 161107-ENGE.jpgNov 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.
  • 161021-NIMSweek.jpgOct 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.
  • 161011-party.jpgOct 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.
  • WP_20160817_13_16_49_Pro.jpgWP_20160817_16_05_23_Pro.jpgAug 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.]
  • 160825-M.jpg160825-T.jpg160825-Scheffler.jpgJul 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.
  • 160621-IMLB-dinner.jpgJun 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.
  • 160520_cpmd2016new.jpgMay 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.]
  • 160421_party.jpgApr 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.
  • 160406_hamami.jpgApr 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]
  • 160405_groupA.jpg160405_groupB.jpgApr 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.]
  • 160331_Sprik_Sushi.jpgMar 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
  • 160324_Toridori.jpg160323_farewell.jpgMar 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,
  • 160210WelcomeParty.jpgFeb 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.
  • 160129Chalmers-small.jpgJan 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.
  • 151218Pacifichem.jpgDec 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.
  • 151021Koper.jpgOct. 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.)
  • 151007ISE.jpgOct. 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.
  • 150908Psi-k.jpgSep 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.
  • 150827CECAM.jpgAug 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]
  • 150817SummerSchool.jpgAug 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]
  • 150731ZdenekFarewell.jpgJul 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.]
  • 150722IBM_small.jpgJul 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.
  • 150630GIA.jpgJun 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.
  • 150529UC.jpgMay 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.).
  • 150518ACCEL-kickoff.jpgMay 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.
  • 150331Kotani.jpgMar 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.
  • TateyamaGparty_photo2.jpgFeb 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.
  • 141211-YearEnd.jpgDec 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.
  • 141203-ISC-QSD.jpgDec 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).]
  • 141125-Hamada.jpgDec 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.
  • 141114-All.jpgNov 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.
  • 141112-All.jpg141112-big3.jpgNov 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.
  • 141107-Tuckerman.jpgNov 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.
  • 141015RIKENAICSsmall.jpgOct 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.
  • 140914-SISSA.jpgSep 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.
  • 1408200-internship.jpgAug 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.
  • 140814-ACS.jpgAug. 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.
  • 140701-Tuckerman.jpgJuly 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.]
  • 140630-Janotti.jpgJune 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.
  • 140604-party-small.jpgJune 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.
  • 140428_Fabris.jpgApr 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).
  • 140410SprikTerakura.jpgApr 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.]
  • 140408hamami.jpgApr 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.
  • 140311_Mike.jpgMar 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]
    • 140309-engine.jpg140309-screen.jpgMar 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.
  • 140221_Johan.jpgFeb 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.
  • 140120_Norskov.jpgJan 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.
  • 131119_Perdew.jpgNov 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).
  • 131030_Asian16.jpgOct 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.]
  • 131024_Rossmeisl.jpgOct 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.
  • 131001_Szabova.jpgOct 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.
  • 130911_ISE.jpgSep 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).
  • 130904_CPMD.jpgSep 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.
  • 130823_FabrisParty.jpg130828_TsuneyukiFabris.jpgAug 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)]
  • 130814_CMSI.jpgAug 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.
  • 130717_KawaiDiebold.jpgJuly 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.
  • 130531_akagi.jpgMay 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.
  • 130425_welcome.jpgApr 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.
  • 130404_hanami.jpg130404_hanami2.jpgApr 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.
  • 130226_Bednorz.jpg130226_Suzuki.jpgFeb 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.
  • 130214_ESICB3.jpg130214_ESICB2.jpg130211_ESICB1.jpgFeb 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, (middle) with Prof. Koji Ohta (ESICB Kyoto Univ.) in front of the ESICB bldg., and (right) with Dr. Johan Scheers (Chalmers Univ. of Tech/MANA NSCS G).
  • 130208_Unit.jpgFeb 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.
  • 130109_Michaelides.jpg130110_Ataka.jpgJan 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.
  • 121220_YearEnd.jpgDec 12: Joint year-end party of the NSCS group and Dr. Wakabayashi group was held at our favourite 'Torikichi'. [Photo: Y. Tateyama, K. Sodeyama, Z. Futera&his wife, O. Macakova, L. Szabova, K. Aikawa, (Kino-san also attended) in the NSCS G, and K. Wakabayashi, S. Dutta&his wife, S. Mohakudo, K. Hosono, M. Yamamoto, Ms. H. Komura in the Wakabayashi G.]
  • 121215_Blumberger.jpg121214_Blumberger.jpgDec 12: Dr. Jochen Blumberger (Dept. of Physics and Astronomy, University College London) visited the NSCS group to have several discussions, and gave a talk in the MANA seminar series. [Photos: with Dr. Jochen Blumberger (right) at the Friday Dinner, (left) in Nikko on Saturday]
  • Dec 12: YT attended the JST-CREST workshop on interface science.
  • Dec 12: RJ attended the 3rd CMSI workshop held at IMS and gave a talk on our recent results.
  • Nov 12: YT gave an invited talk in the surface science meeting in Japan held at Tohoku Univ.
  • Nov 12: YT and KS attended the ESICB meeting held at Kyoto Univ. and also had a discussion with Dr. Marco Fronzi, Osaka Univ. about our collaboration.
  • Nov 12: YT attended the annual meeting on batteries, Japan held in Fukuoka.
  • 121112_Gewirth.jpgNov 12: YT and KS had a discussion about interfacial reactions with Prof. Andrew A. Gewirth, Univ. of Illinois, Urbana-Champaign, who visited Prof. Kohei Uosaki, the director of the Nano-Interface Unit. [Photo: with Prof. A. A. Gewirth]
  • Nov 12: ZF attended Asian 15 held in Taipei and gave a poster presentation.
  • Oct 12: YT and KS attended the DSC-OPV 7 aseanian conference held at the National Taiwan Univ., Taipei. KS gave a poster presentation as well.
  • Oct 12: YT attended a CMSI-Elements Strategy Initiative joint workshop held near Tokyo station.
  • 121018_welcomeparty.jpgOct 12: The welcome party for Dr. Zdenek Futera and Ms. Lucie Szabova was held at Torikichi (A Yakitori restaurant). [Photo: the NSCS group members with Dr. Marco Fronzi, and Dr. Katsunori Wakabayashi]
  • Oct 12: Dr. Marco Fronzi, a post-doc fellow in the Graduate School of Engineering Science and a former post-doc at the NSCS group, stayed at the MANA NSCS group. We had a lot of intensive discussion for our collaboration.
  • Oct 12: RJ attended TCCI workshop held at IMS, Okazaki and gave an oral talk.
  • Oct 12: KS attended PRiME 2012 held in Hawaii, US and gave an oral presentation.
  • Oct 12: Ms. Lucie Szabova joined the NSCS group as a ph.D student under the NIMS international graduate school program. Her original position is a ph.D student in Prof. Matolin group at the Charles University in Prague, Czech Republic. She has been also studying in Prof. Stefano Fabris group at the CNR-IOM Democtritos in Trieste, Italy.
  • Oct 12: Dr. Zdenek Futera, who stayed at the NSCS group as a ph.D student before, rejoined us as a visiting researcher. He has got a ph.D degree and is now a project assistant professor of Prof. Einaga group in the Keio University, Japan.
  • Sep 12: YT gave an invited talk in the catalysis workshop held at Kyushu Univ.
  • Sep 12: YT & HK attended the JPS fall meeting held at Yokohama National Univ., and gave talks.
  • Sep 12: MS, RJ & KS attended annual meeting of Japan Society for Molecular Science (2012) held at the Hongo campus, The University of Tokyo and gave presentations. YT also attended.
  • Sep 12: Prof. Takao Kotani (Tottori Univ.) stayed at the MANA NSCS group as a collaborator of HK, and had a lot of discussion about GW methods and the interface problems with us.
  • Aug 12: KS attended the hydrogen quantum atomics workshop held at KEK.
  • Aug 12: HK joins the Elements Strategy Initiative Center for Magnetic Materials (ESICMM), NIMS as a researcher.
  • July 12: YT joins the Unit of Elements Strategy Initiative for Catalysis and Batteries (ESICB), Kyoto University as a principal investigator (PI).
  • July 12: Mr. Zdenek Futera, ph.D student in Charles University in Prague, visits us to proceed our collaboration.
  • July 12: YT gave an invited talk in the ISSP workshop 'transport and conversion at surface/interface' held in ISSP, The University of Tokyo.
  • July 12: HK and KS gave poster presentations in a symposium of MASP2012 in ISSP.
  • July 12: YT gave an invited talk in the photocatalysis workshop held at RCAST, The University of Tokyo.
  • 120707_Joost.jpgJuly 12: Prof. Joost VandeVondele (ETH Zurich) stayed at the MANA NSCS group, and we had a lot of discussions on large-scale DFTMD calculations. He also gave a CMS seminar in NIMS as well as a talk in the MASP2012. [Photo: with Prof. Joost VandeVondele. ]
  • July 12: YT gave a lecture in the MASP2012 tutorial workshop in ISSP.
  • 120620_Marcofawell1.jpg120620_Marcofarwell2.jpgJune 12: Dr. Marco Fronzi, working on SOFC systems, left the MANA NSCS group, to join Prof. Ogata-Prof. Kimizuka group, Osaka Univ. as a postdoc. His new group is one of the major groups for structural materials in Japan. We wish his further success. [Photos: with the participants in his farewell party.]
  • 120704_MASP2.jpg120704_MASP1.jpgJune 12: YT, HK, KS and KA attended 3-week tutorial workshop of MASP(Materials Simulation in Petaflops Era) 2012 held in ISSP, The University of Tokyo. We had a plenty of discussion about electronic structure calculations with the leading researchers in the field. [Photos: (left) with Prof. Hardy Gross. (right) with Prof. Gross, Prof. Koper, Prof. Sugino, Prof. Ikeshoji, Dr. Ogitsu, Dr. Otani, Dr. Jinnouchi, Dr. Sodeyama.]
  • June 12: KS and MS gave a poster presentation in the Tsukub Solar Cell Workshop held in AIST.
  • 120525_Washington_small.jpgMay 12: YT gave a contributed talk in the spring meeting of the international society of electrochemistry held at the Georgetown Univ. in Washington D.C., US, and had many discussions with the participants. [Photo: with Dr. M. Otani, Dr. R. Jinnouchi, Prof. T. Ikeshoji, Dr. I. Hamada]
  • May 12: YT gave a talk in the NIMS seminar.
  • Apr 12: YT gave a talk in the 2nd MANA Grand-Challenge meeting held in Nasu.
  • 2012kickoff_small.jpgApr 12: Dr. Hiori Kino and Ms. Rumiko Enjoji joined the NSCS group as a staff member and secretary, respectively. [ Photo: At the FY2012 kick-off party]
  • Apr 12: The NSCS group is transferred to the Nano Interface Unit from the Nano-System Organization Unit, officially. But nothing changed in principle.
  • Mar 12: RJ and KA gave presentations in domestic meetings.
  • Mar 12: YT attended the JPS spring meeting held in Kwansei Gakuin Univ.
  • Mar 12: Dr. David R. Bowler visited us in MANA and we had a discussion on the on-going collaboration.
  • Mar 12: YT gave a poster presentation at a symposium on the Application development for the Next-Generation Supercomputer held in Kobe.
  • Mar 12: YT gave an invited talk at the applied chemistry workshop organised in the Department of Applied Chemistry, the University of Tokyo.
  • Mar 12: KS and MS gave a poster presentations in the MANA international symposium 2012.
  • Feb 12: MF gave a poster presentation in the APS March meeting held in Boston.
  • Feb 12: YT gave an invited talk in the 3rd NIMS-GREEN symposium.
  • Feb 12: MS gave a talk on our solid-liquid interface project in a NIMS-Tohoku Univ. joint workshop held in Tohoku University.
  • Feb 12: KS gave a talk on our DSC projects in the ISSP workshop.
  • Feb 12: YT visited Dr. David R. Bowler and his ph.D students, Conn O'Rourke and Umberto Terranova at the London Centre for Nanotechnology, University College London, for discussion of our MANA collaboration. We had an intensive discussion of the recent issue of DSC. YT also talked to Dr. Jochen Blumberger, Prof. Mike J. Gillan, Prof. Alex Shluger, and Prof. Angelos Michaelides.
  • 120216_Cheng.jpg120216_Sprik.jpgFeb 12: YT visited Prof. Michiel Sprik, and Dr. Jun Cheng, at the theoretical chemistry, Department of Chemistry, University of Cambridge. We had intensive discussion of advanced techniques to calculate redox potential.[ Photo: with Prof. Michiel Sprik, and Dr. Jun Cheng at a fellow room in the Clare College.]
  • Jan 12: YT gave a poster presentation in the 2nd CMSI annual workshop held at Inst. for Materials Research, Tohoku University.
  • Jan 12: YT gave an invited talk in a symposium on "water and interface" organised by the JST-CREST "Development of the foundation for nano-interface technology".
  • Jan 12: YT attended a symposium of JST-CREST "Creation of Innovative Functions of Intelligent Materials on the Basis of Element Strategy".
  • Jan 12: Ms. Koharu Aikawa joined the MANA NSCS group as a research assistant. She is a ph.D student in the department of chemistry, University of Tsukuba.
  • Jan 12: YT attended a PRESTO symposium 'Frontier in interface science' held in Tohoku Univeristy, and had many exciting discussions.
  • Dec 11: YT gave an invited talk in a series workshop for fuel cell held at the Graduate School of Simulation Studies, University of Hyogo, next to the supercomputer "K" site in Kobe.
  • Dec 11: YT gave an invited talk in the 21st MRS-J workshop held in Yokohama, and had many interesting discussions.
  • Dec 11: YT & MS gave talk in domestic academic conference on surface science, held in Tokyo.
  • 111213_GroupLunch_small.jpgDec 11: The "Year-End Lunch" of the NSCS group was held at a french restaurant nearby. [Photo: (front) Ms. Nobuko Tejima, Ms. Ryoko Hayakawa, Yoshitaka Tateyama. (back) Keitaro Sodeyama, Ryota Jono, Masato Sumita, & Marco Fronzi.]
  • Dec 11: YT was appointed as a PRESTO researcher for the "Phase Interfaces for Highly Efficient Energy Utilization" research area by Japan Science and Technology Agency (JST) on 1 December 2011.
  • Nov 11: YT gave an invited talk in the ISSP short-term workshop on 'materials science for energy conversion', and also had many useful discussions.
  • Nov 11: YT gave a seminar at the Prof. Fukutani group in the Institute of Industrial Science, The University of Tokyo (Komaba II Campus).
  • Nov 11: YT gave an invited talk in the CMSI-GensoSenryaku workshop on battery, held at the Koshiba Hall in the Hongo campus, The University of Tokyo.
  • 111104_Tokyo_small.jpgNov 11: YT & KS had collaboration discussion with Prof. Stefan Goedecker (University of Basel) & his ph.D student, Maximilian Amsler, at the Hongo campus, The University of Tokyo, which was supported by CMSI. [Photo: with Prof. S. Goedecker & Mr. M. Amsler in front of the Yasuda Auditorium, The University of Tokyo.]
  • Oct - Nov 11: YT was invited to 4th international symposium on atomically controlled fabrication technology organized by Osaka University GCOE, and gave a invited talk. YT also had many discussions with his match-up invited speaker and collaborator, Dr. Jochen Blumberger (University College London).[Photos: with Dr. J. Blumberger & Prof. Y. Morikawa in Doton-bori (in front of Glico ad.), with Dr. J. Blumberger, Prof. Yoshitada Morikawa (Osaka Univ.) & Dr. Tomoya Ono (Osaka Univ.) in the Nakanoshima Centre, Osaka University.]111031_Osaka-1_small.jpg111102_Osaka-2_small.jpg111102_Osaka-3_small.jpg


  • Oct - Nov 11: MS, KS, MF & RJ attended the 14th Asian Workshop on First-Principles Electronic Structure Calculations held in the University of Tokyo. MS & KS gave poster presentations.
  • Oct 11 : YT attended 'Workshop on new materials for renewable energy' held in the ICTP, Trieste, Italy & gave a presentation as well as had many discussions.
  • 111013_London-1_small.jpgOct 11 : YT visited Dr. Jochen Blumberger and Dr. David Bowler in University College London, London, UK for discussions about the collaborations. [Photo: with Dr. D. R. Bowler, Mr. C. O'Rourke (UCL) & Mr. U. Terranova (UCL).]
  • Sep 11 : YT & KS attended the JPS Fall meeting 2011 held in Toyama University and gave oral presentations.
  • Sep 11 : MS & RJ attended annual meeting of Japan Society for Molecular Science (2011) and gave presentations.
  • Sep 11 : YT was invited to the 23rd Summer School on Chemistry of Liquids held near Mt. Fuji from 13 thru 15 in September as an invited lecturer. He gave several lectures from the fundamental of DFT to recent applications to solid/liquid interfaces.
  • 110921_Sprik_small.jpg110909_Srpik_small.jpgSep 11: Prof. Michiel Sprik (Univeristy of Cambridge) stayed at the MANA NSCS group, and we had a lot of discussions on DFTMD calculations of redox potential and solid/liquid interfaces. [Photos: with Prof. Michiel Sprik, & with Prof. M. Sprik, Dr. H. Kino (NIMS), Dr. K. Kobayashi (NIMS).]
  • Sep 11 : YT, MS & KS attended the ISTCP-VII held in Waseda University, Tokyo. MS & KS gave contributed talks. YT had many academic discussions with the invited speakers such as Prof. Hardy Gross, Prof. Michiel Sprik, Prof. Roi Baer, Prof. Kazuhiro Yabana, and so on.
  • Aug 11 : Dr. Ryota Jono joined the MANA NSCS group as a CMSI postdoc for dye-sensitised solar cell (DSC). He mainly belongs to Prof. K. Yamashita group, Graduate school of Engineering, The University of Tokyo. But he mainly work on the DSC interfaces in the MANA NSCS group.
  • Aug 11 : Dr. Masahito Morita (Osaka Univ.) and Dr. Takao Otsuka (RIKEN QBiC) visited the MANA NSCS group and had intense discussion of our on-going collaboration.
  • Aug 11 : YT attended the workshop on water held in Himeji, organised by Prof. Y. Harada, Dr. T. Tokushima, and Dr. Kobara.
  • Aug 11 : Dr. Tadashi Ogitsu (LLNL) visited the MANA NSCS group and had discussions of DFTMD simulations.
  • Jul 11 : Prof. Christian Joachim (CEMES/CNRS & MANA PI) stayed at MANA. YT had a discussion of nano wire conductance.
  • 110722_Ando_small.jpgJul 11 : Prof. Koji Ando (Kyoto Univ.) visited the MANA NSCS group and gave a CMS seminar. We also had intensive discussion of first-principles calculations of electron transfer reactions. [Photo: with Prof. Koji Ando & Dr. Katsunori Wakabayashi (MANA).]
  • Jul 11 : Prof. James Gimzewski (UCLA & MANA PI) stayed at MANA. YT had a discussion with him on molecular nanotechnology.
  • 110624_TomokiFarewell-1_small.jpg110624_TomokiFarewell-2_small.jpgJun 11 : Dr. Tomoki Kobori, working on bio-system simulations, left the MANA NSCS group, to join Dr. Taiji group, QBiC, RIKEN, in Kobe as a postdoc. His new group is one of the major groups for bio-system simulations in Japan. We wish his further success. [Photos: with the participants in his farewell party]
  • 110621_LLNL_small.jpgJun 11 : YT visited Lawrence Livermore National Laboratory, CA in USA to discuss with Dr. T. Ogitsu for the potential collaboration on solid/liquid interfaces in the future. [Photo: with Dr. Tadashi Ogitsu and Dr. Jonathan DuBois in the city centre of Livermore.]
  • 110607_Gali_small.jpgJun 11 : YT joined the discussion of the collaboration project with Dr. M. Morita (WPI-IFReC, Osaka Univ.), Dr. T. Otsuka (RIKEN QBiC) and Prof. A. Gali (Hungarian Academy of Science) in Budapest. [Photo: with Prof. A. Gali, Dr. M. Morita, Dr. T. Otsuka on the chain bridge.]
  • Jun 11 : YT attended JST-PRESTO meeting held in Okayama Pref.
  • Apr 11 : The group secretary changed from Ms. Yukiko Ono to Ms. Ryoko Hayakawa & Ms. Nobuko Tejima.
  • 1 April 2011 : Our team became an official NIMS group: Nano-System Computational Science (NSCS) Group, Nano-System Organisation Unit, MANA, NIMS. YT is now the Group Leader. In fact, however, there is no big change.
  • Mar&Apr 11 : Dr. David Bowler (University College London) visited NIMS and the our team in MANA. We had a discussion about solar cell issues.
  • Mar 11 : YT, KS and MF attended the APS March meeting 2011 held in Dallas, TX. YT and KS gave an oral presentations and MF gave a poster presentation. Unfortunately YT cancelled his talk in the 241st ACS national meeting in Anaheim because of his NIMS business in the last week of March.
  • 14-18 Mar 11 : The MANA-NSCS team almost resumed its normal operation.
  • 14 Mar 11 : Electricity and water supply were recovered in most parts of Tsukuba. YT started to recover the functionality of the MANA-NSCS team in the MANA bldg, and having been keeping in touch with all the team members.
  • 11 March 2011: A big earthquake happens at 2:46pm. The MANA/CMS seminar was cancelled. Many machines in the team dropped on the ground after many following earthquakes. Tsukuba suffered from black-out and no water supply. Fortunately my house was able to use electricity and sadly found on TV programs that a bunch of Tsunami hit the Tohoku areas and many people were killed.
  • Mar 11: Prof. K. Akagi (Tohoku Univ. WPI-AIMR) visited the MANA-NSCS team and had a discussion of interface calculations with us. He was supposed to give a MANA/CMS seminar as well.
  • 110307_Prague_small.jpg110308_CharlesUniv_small.jpgMar 11: YT and KS visited Prof. Jaroslav V. Burda group in Charles University in Prague and had discussion with Prof. Burda and Mr. Zdenek Futera about our collaboration work. [Photo: with Prof. Jaroslav V. Burda, Mr. Zdenek Futera, and Dr. Keitaro Sodeyama, in front of Univerzita Karlova v Praze.]
  • Mar 11: YT, MS, KS, TK and MF participated in the MANA international symposium 2011 held at Epocal, Tsukuba. YT gave a poster presentation.
  • Feb 11: YT and TK attended the 5th symposium on the Application development for the Next-Generation Supercomputer held in RIKEN, Kobe.
  • 110127_Zdenek_small.jpgJan 11: ZF completed his one-year stayin NIMS-MANA and got back to his home institution, Charles University in Prague. [Photo: Farewell party for Zdenek Futera at the Yakitori Pub with Dr. K. Wakabayashi, Dr. S. Dutta, Dr. A. Torralba, and the members of the MANA-NSCS team.]
  • Jan 11 : MF attended the total energy workshop held in ICTP, Trieste, Italy and gave a poster presentation.
  • Jan 11 : YT and KS had a discussion with the collaborators from SPring-8.
  • Jan 11 : YT gave the final report talk in the JST-PRESTO workshop held in the Hongo campus of the University of Tokyo.
  • Jan 11 : MS, KS, TK, MF, and ZF attended a supercomputer workshop held in ISSP, the Univeristy of Tokyo (Kashiwa campus) and gave poster presentations.
  • Jan 11 : Ms. Yukiko Ono became the secretary of our team.
  • Dec 10 : MS and KS attended the Pacifichem 2010 held in Honolulu Hawaii, and MS gave several poster presentations.
  • Dec 10 : YT visited his collaborators in Osaka University and SPring-8 to have substantial discussion.
  • 101213_Max_small.jpgNov & Dec 10 : Mr. Maximilian Amsler, a phD stduent of Prof. Stefan Goedecker in University of Basel, temporaly joined the MANA-NSCS team as a NIMS internship student. [Photo: Farewell party for Max Amsler with all the members of the MANA-NSCS team and Tomoko-san.]
  • Nov 10 : Mr. Teppei Ono (SQUARE ENIX CO., LTD) visited the MANA-NSCS team and gave a talk on GPGPU in the CMS seminar series.
  • Nov 10 : Prof. Peter Sushko (CMMP, University College London) visited MANA and had discussions with MF and YT.
  • Nov 10 : Dr. Takao Otsuka (Centre for Computational and Quantitative Life Science, RIKEN) visited the MANA-NSCS team and discussed our collaboration with YT, KS and TK.
  • Nov 10 : Small GPGPU (Tesla C2050) cluster was set-up in the MANA-NSCS team.
  • Oct 10 : YT was invited to the series workshop on hydrogen quantum-mechanical atomics held in Ehime University, and gave a talk on first-principles MD simulations of water behaviours on the TiO2 anatase interfaces.
  • Oct 10 : YT attended Nature Photonics Conference on the future perspectives of photovoltaic cells, and talked to Prof. Michael Gratzel (EPFL), Dr. Y. Miyamoto (NEC) and Dr. Y. Nakamura (NEC).
  • 101015_Saorisan2_small.jpg101007_Saorisan1_small.jpgOct 10 : Ms. Saori Ichino resighed our secretary owing to her family matters. [Photo : with Ms. Saori Ichino and all the members of the MANA-NSCS team.]
  • Oct 10 : YT was invited to the IMS workshop on surface/interface chemistry for green innovation held in the Institute for Molecular Science, and gave a talk on first-principles MD simulates of solid/solution interfaces.
  • Oct 10 : YT and ZF showed our research activities to the visitors from the Czech Republic Government, who visited NIMS and NIMS-MANA.
  • Sep 10 : YT, KS, TK attended the Japan Physical Society Meeting held in Osaka-Prefecture University.
  • Sep 10 : MS, TK and ZF gave presentations in Japan Molecular Science Meeting 2010 held in Osaka university. KS also attended.
  • Sep 10 : YT attended the psi-k conference 2010 in Berlin and gave a poster presentation. He also talked to a lot of collaborators and friends.
  • 100910_CECAM_small.jpgSep 10 : YT attended the CECAM workshop 'Titania for all seasons' in Bremen and gave a poster presentation. (Sep 10). [Photo : Workshop photo.]


  • Sep 10 : MF attended the Thomas Young Center workshop in London.
  • 100903_Burda.jpgSep 10 : Prof. Jaroslav V. Burda (Charles University of Prague), the original supervisor of Mr. Zdenek Futera, visited the MANA-NSCS team, and had many discussions of coordination chemistry. He also gave a talk in the MANA seminar series.


  • Aug 10 : YT attended the ACS meeting 2010 in Boston and gave a poster presentation.
  • Aug 10 : YT was invited as a lecturer for Suuri-no-Tsubasa summer seminar held in Hokkaido.
  • 100804_Klein_small.jpgAug 10 : Prof. Michael L. Klein (Temple University) visited NIMS and had a discussion wit the MANA-CPC group. [Photo : with Prof. Michael L. Klein (Temple University), Dr. T. Kobori, Dr. K. Sodeyama, Mr. Z. Futera]


  • 100802_Koper_small.jpgAug 10 : Prof. Marc Koper (Leiden Inst. of Chemistry, Leiden University) visited NIMS-MANA and gave a talk in the CMS/MANA seminar series. We also had substantial discussion on how to deal with electron transfer. [Photo : with Prof. Marc Koper (Leiden Inst. of Chemistry, Leiden University) & Dr. K. Sodeyama]
  • July 10 : YT attended the CECAM workshop 'ab-initio electrochemistry' in EPFL, Lausanne and gave a contributed talk. He also talked to a lot of collaborators and friends.
  • July 10 : Dr. Keith Mckenna (University College London/WPI-AIMR Tohoku Univ.) visited the MANA-NSCS team and gave a CMS seminar. We also had several discussions.
  • 100624_Pacchioni_small.jpgJune 10 : Prof. Gianfranco Pacchioni (Universita di Milano-Bicocca) visited the MANA-NSCS team and gave a talk in the CMS/MANA seminar series.We also had substantial discussion on oxides. He was also an invited speaker in STAC4 (Intl Conf on the Sci and Tech for Advances Ceramics) held in Yokohama. [Photo : with Prof. Gianfranco Pacchioni (Universita di Milano-Bicocca), Dr. T. Kobori, Dr. K. Kobayashi (NIMS-CMSC), Dr. K. Sodeyama, Mr. Z. Futera, Dr. A. S. Torralba (NIMS-ICYS) and Dr. H. Kino (NIMS-CMSC)]
  • June 10 : As a member of local organising committee of STAC4 (Intl Conf on the Sci and Tech for Advances Ceramics) held in Yokohama, YT invited Prof. Alex Shluger (Univ. College London), Prof. Gianfranco Pacchioni (Universita di Milano-Bicocca), Dr. Masanori Kohyama (AIST), Prof. Fumiyasu Oba (Kyoto Univ.) as well as Mr. Yoshiki Iwazaki (Taiyo-Yuden), and organised the theoretical sessions.
  • May-June 10 : YT was invited to International Conference on Core Research and Engineering Science of Advanced Materials organised by Global COE of Osaka Univ. and gave a talk on ab initio calculation of redox free energies.
  • May 10 : YT showed our research activities to the visitors from Liverpool University, UK, who visited NIMS and NIMS-MANA.
  • 100526_Ogitsu_small.jpgMay 10 : Dr. Tadashi Ogitsu (LLNL) visited the MANA-CPC team and had many discussions about several issues. [Photos : with Dr. Tadashi Ogitsu (LLNL)]


  • May 10 : YT gave a talk on ab initio study on solid/solution interfaces in the NIMS ICNSEE seminar.
  • May 10 : YT gave a talk in the Symposium of T2K Tsukuba.
  • Apr 10 : Dr. Keitaro Sodeyama and Dr. Tomoki Kobori (both from Prof. Tsuneyuki group in the Dept. of Physics, The University of Tokyo) joined the MANA-CPC group as postdoctral fellows (MANA research associates).
  • 100329_Chunping_middle.jpgMar 10 : Dr. Chunping Hu in the MANA-NSCS team got an assistant professor position in the Department of Physics, Tokyo University of Science. [Photos : At the farewell party of Dr. Chunping Hu. (right to left) Dr. J. Nara (NIMS-CMSC), Prof. Nicola Marzari (Oxford), Dr. C. Hu, Prof. Stefan Goedecker (Basel), Mr. Z. Futera, Dr. A. S. Torralba (NIMS-ICYS), Ms. S. Ichino, YT, Dr. T. Kobori, Dr. K. Sodeyama]


  • 100404_Goedecker_small.jpgMar&Apr 10 : Prof. Stefan Goedecker (University of Basel) stayed in the MANA-CPC team for two weeks as a MANA adviser and made progress of our collaboration. He also gave a talk in the CMS/MANA seminar series. [Photo : with Prof. Stefan Goedecker (Basel) and all the members of the MANA-NSCS team.]
  • Mar 10 : YT was invited to a symposium on solid/solution interface organised by Prof. Ohnishi (Kobe Univ.) in the Japan Chemical Society meeting held in Kinki Univ.
  • Mar 10 : YT gave a talk in the MANA-JSPS workshop held in Hakone.
  • Mar 10 : YT and CH gave oral talks in the Japan Physical Society March meeting held in Okayama Univ.
  • 100317_MarzariSit_small.jpgMar 10 : Dr. Patrick Sit (Temple Univ./U PENN) was invited to the MANA-CPC team for a collaboration work among Prof.Nicola Marzari and YT. He also gave a talk in MANA. [Photos : with Prof. Nicola Marzari (Oxford) and Dr. Patrick Sit (Temple/UPENN) at a Yakitori pub]


  • 100312_SelloniMarzari.JPGMar 10 : Prof. Nicola Marzari (MIT/Oxford Univ.) was invited for one-month stay in MANA. We hadseveral substantial discussion as well as started some collaborations. He also gave a talk in the CMS/MANA seminar series. [Photos : with Prof. Annabella Selloni (Princeton), Prof. Nicola Marzari (Oxford) and all the members of the MANA-CPC team at an Oden pub]
  • 100305_Selloni_small.jpgMar 10 : Prof. Annabella Selloni (Princeton Univ.) visited the MANA-CPC team for her invited talk in MANA symposium 2010 and discussion on TiO2 with us. She also gave a talk in the CMS/MANA seminar series. [Photos : with Prof. Annabella Selloni (Princeton)]


  • 100217_Alston_small.jpg100217_Sprik_small.jpgFeb 10 : YT visited Prof. Michiel Sprik, Department of Chemistry, University of Cambridge as a visit to his mentor in MANA. YT had discussion with Prof. Michiel Sprik, Dr. Jun Cheng, Dr. Marialore Sulpizi, and Dr. Harald Oberhofer for ab initio calculaitons of electrochemical reactions. YT also met many old friends. [Photos : with Prof. Michiel Sprik (Chemistry, Cambridge), and with Dr. Alston J. Misquitta (Cavendish, Cambridge)]
  • 100215_ConnUmberto_small.jpg100215_BowlerGillan_small.jpgFeb 10 : YT visited Dr. David Bowler in the London Centre for Nanotechnology (LCN), University College London (UCL) to proceed our collaboration, and had a lot of discussion with Conn, Umberto as well as Dave. YT also had discussions with Prof. Angelos Michaelides, Prof. Alex Shuluger, Dr. Peter V. Sushko, Dr. Keith Mckenna, Prof. Mike Gillan, and Dr. Jochen Blumberger. [Photo : with Dr. David R. Bowler (UCL) and Prof. Michael J. Gillan (UCL)]
  • Feb 10: The first workshop of Innovative Center of Nanomaterials Science for Environment and Energy (ICNSEE) to which the members in the MANA-CPC team are belonging was held in NIMS.
  • Feb 10: Zdenek Futera from Charles University of Prague joined the MANA-NSCS team as a phD student of NIMS international graduate school program.
  • 100122_KleinUshioda.jpgJan 10: Prof. Michael L. Klein (Temple Univ.) visited NIMS and gave a talk in the CMS seminar series that YT is coordinating.[Photo : with Prof. Michael L. Klein (Temple Univ.) and Prof. Sukekatsu Ushioda (NIMS president), Dr. Takahisa Ohno (NIMS) and Dr. Chikashi Nishimura (NIMS)]


  • 091218_group.jpg18 December 09: Our team photo [Photo : with Prof. M. Aono (MANA director of general), Mr. Umberto Terranova, Mr. Conn O'Rourke and Ms. S. Ichino (team secretary)]


  • 091215_Sato.jpgDec 09: YT visited Prof. Hirofumi Sato group in Kyoto University to have discussion how to deal with solution and calculate free energy. [Photo : with Prof. Hirofumi Sato (Kyoto Univ.) and Kido-san, Iida-san, Hayaki-san (Sato Gr., Kyoto Univ.) and Umberto, Conn (NIMS-MANA/UCL)]
  • Nov & Dec 09: Umberto Terranova and Conn O'Rourke from David Bowler group in UCL (& the MANA UK-satelite) temporaly joined the MANA-CPC team as internship students.
  • Nov 09: YT gave an invited talk in a domestic workshop on computatitional approach to fuel cell, held in the University of Tokyo.
  • Nov 09: YT attended the UCSB-KITP conference 'From Basic Concepts to Real Materials', and gave a poster.
  • Oct 09: CH attended the 12th Asian workshop and gave a poster.
  • Oct & Nov 09: YT attended the UCSB-KITP program 'Excitations in Condensed Matter: From Basic Concepts to Real Materials' and had lots of discussion with many participants.
  • Oct 09: YT attended NIMS-CNRS workshop held near Toulouse.
  • Sep 09: CH and YT gave posters in the JPS Fall meeting held in Kumamoto Univ.
  • Sep 09: YT gave a talk and MS gave a poster in the annual meeting of Japan Society for Molecular Science held in Nagoya.
  • Aug 09: CH attended the ChinaNano and gave a poster.
  • July 09: CH attended the TDDFT Gordon Research Conference and gave a poster.
  • 090617_TerakuraMorikawa_small.jpgJune 09: YT gave a poster in the Japan-France Workshop on Nanomaterials held in NIMS. [Photo : with Prof. Kiyoyuki Terakura (JAIST) and Prof. Yoshitada Morikawa (Osaka Univ.)]
  • June 09: YT joined the Cluster for Environmental Remediation in NIMS.
  • 090528_IMG_MIT2.jpg090528_IMG_MIT1.jpgMay 09: YT stayed at Prof. Nicola Marzari group in MIT together with Dr. Patrick Sit (CMM, U PENN), and started a collaboration research on electron-transfer issues with them. YT also gave a talk in the AMASS seminar series. [Photos : with Prof. Nicola Marzari, Dr. Davide Ceresoli, and Dr. Andrea Ferretti at MIT.]
  • May 09: CH gave an oral talk in the 12th theoretical chemistry meeting Japan (RIRON-KAGAKU TOURONKAI) held at Takeda Bldg., University of Tokyo.
  • S-CPC.JPGApr 09: Prof. Stefan Goedecker (Univ. of Basel) visited MANA and the MANA-CPC team for discussions. He gave talks on his recent projects in the CMS and MANA seminars, and a tutorial of his code. [Photos : with Prof. Stefan Goedecker (Univ. of Basel).]
  • Apr 09: MS joined the MANA-NSCS team.
  • Mar 09: CH and YT gave a talk in the JPS march meeting held in Rikkyou Univ., Tokyo.
  • Mar 09: YT participated in the final meeting of Akai-Tokutei project held in Osaka University.
  • Mar 09: Dr. David Bowler (Univ. College London) visited MANA and the MANA-NSCS team for discussions.
  • Mar 09: YT gave an invited talk in the 2009 WPI-AIMR annual workshop held at Zao-Royal Hotel, Miyagi pref., and had many discussions with people in the WPI-AIMR, Tohoku Univ. as well as the other participants.
  • M-others.JPGFeb 09: Prof. Nicola Marzari (MIT) visited MANA and the MANA-CPC team for in-depth discussions and gave a talk on his recent projects in the CMS seminar. He was also an invited speaker of the MANA International Symposium 2009. [Photos : with Prof. Nicola Marzari (MIT) and our friends.]
  • Feb 09: YT gave a talk in the MANA International Symposium 2009. YT was a member of the organizing committee as well.
  • Feb 09: CH participated in the MANA International symposium 2009.
  • Feb 09: CH and YT participated in SciSSP2009 held at ISSP, the University of Tokyo.
  • Jan 09: YT gave a talk in a mini-workshop of the Akai-Tokutei project held at ISIR, Osaka Univ.
  • Jan 09: YT participated in the Total energy workshop 2009 held at ICTP, Trieste, Italy, and discussed with many theorists.
  • Dec. 08: CH was invited to give a talk in Prof. Wanatabe group, Tokyo Univ. of Science.
  • Dec 08: YT gave a talk in a workshop for next-generation supercomputer held at IMR, Tohoku Univ.
  • Dec 08: CH and YT participated in CSW 2008 organised by AIST-RICS.
  • Nov 08: Prof. Christian Joachim (CNS/MANA PI) visited MANA and had discussions with us in the MANA-NSCS team.
  • Nov 08: YT gave a special lecture on computational redox chemistry at the Kagami Mater. Lab. in Waseda Univ.
  • Nov 08: CH was invited to give a talk in a Global-COE symposium held in Osaka Univ.
  • Nov 08: Prof. Shuichi Murakami (Tokyo Inst. Tech.) visited MANA and the MANA-NSCS team for discussions with several people here and gave a talk on his recent projects in the CMS seminar.
  • Nov 08: Prof. Koichi Kusakabe (Osaka Univ.) visited the MANA-NSCSteam and we had an in-depth discussion.
  • Sep 08: Both CH and YT participated in the annual meeting of Japan Society for Molecular Science held in Fukuoka and discussed with many theoretical chemists.
  • 08091x_HirataNakai_small.jpgSep 08: YT participated in WATOC 2008 held in Sydney, Australia, and discussed with many theoretical chemists. [Photo : with Prof. Hiromi Nakai (Waseda Univ.) and Prof. So Hirata (Univ. of Florida)]


  • Aug 08: YT talked to Prof. Koun Shirai (ISIR, Osaka Univ.) who visited NIMS.
  • Aug 08: Prof. Byung Deok Yu (Univ. of Seoul) visited the MANA-NSCS team and joined the discussion.
  • July 08: Dr. Motoyuki Shiga (JAEA) visited the MANA-NSCS team and gave a talk on ab-initio path-integral MD.
  • 08072x_Kintarou_small.jpgJuly 08: YT discussed with Prof. Chris G. Van de Walle (UC Sandta Barbara) who visited NIMS. [Photo : with Prof. Chris G. Van de Walle, Prof. Hajime Haneda, Prof. Naoki Ohashi, Dr. Yoshiki Iwazaki, Dr. Naoto Umezawa]


  • July 08: Dr. Yoshihide Yoshimoto (ISSP, Univ. Tokyo) visited the MANA-NSCS team and discussed with us.
  • June 08: Prof. Mike J. Gillan (Univ. College London) visited the MANA-NSCS team and discussed with us.
  • 080604_Marcus_small.jpg04 June 08: YT had a lunch and discussed with Prof. Rudolph A. Marcus (Nobel laureate in Chemistry) [Photo : with Prof. Rudolph A. Marcus]


  • May 08: Dr. Yasuteru Shigeta (Tsukuba Univ.) visited the MANA-NSCS team to have discussion.
  • 0802xx_Urakawa_small.jpg Feb 08: YT visited Inst for Chemical and Bioengineering, ETH Zurich (Hoenggerberg) and gave a talk. [Photo: with Dr. Atsushi Urakawa]


  • 0802xx_ShigaJordi_small.jpg0802xx_Marx_small.jpg Feb 08: YT visited Prof. Dominik Marx group, Ruhr-Universitaet Bochum and gave a talk. [Photo (left): with Prof. Dominik Marx | Photo (right) : with Dr. Motoyuki Shiga & Dr. Jordi Ribas Arino]


  • 0802xx_Welland_small.jpg Feb 08: YT visited Prof. Mark E. Welland (MANA-PI) at the Cambridge Nanoscience Centre. [Photo: with Prof. Mark E. Welland]


  • 0802xx_Schlapbach_small.jpg Feb 08: YT visited EMPA to give talks and have many discussions with Dr. Artur Braun etc. [Photo: with Prof. Louis. Schlapbach]
  • Jan & Feb 08: YT stayed in the Sprik group, Department of Chemistry, University of Cambridge.
  • 0708xx_FADFT_small.jpg0708xx_GrossBurkeSugino_small.jpg July & Aug. 07: YT almost attended FADFT workshop/symposium held at ISSP, The University of Tokyo. [Photo (left): with Prof. Hardy Gross, Prof. Kieron Burke & Prof. Osamu Sugino | Photo (right) : with Prof. Yasutami Takada, Prof. Hardy Gross, Prof. Kieron Burke, Prof. Andreas Savin, Prof. Osamu Sugino, Dr. Ferdi Aryasetiawan & Dr. Angelica Zacarias]