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ARCHIVE(-2012)

  • 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]