Annual Review 2012 from the DIRECTOR-GENERAL
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Published by Institute for Molecular Science National Institutes of Natural Sciences Myodaiji, Okazaki 444-8585, Japan Phone: +81-564-55-7418 (Secretary Room) Fax: +81-564-54-2254 (Secretary Room) URL: http://www.ims.ac.jp/ Editorial Committee 2012 Chairperson JIANG, Donglin Vice-Chairperson NISHIMURA, Katsuyuki YASUIKE, Tomokazu FUKUDA, Ryoichi TAKEI, Nobuyuki MIZUSE, Kenta KONOMI, Taro NOMURA, Yutaka FURUKAWA, Ko IIJIMA, Takahiro HIGASHIBAYASHI, Shuhei KIMURA, Tetsunari YAMAGUCHI, Takumi KAMO, Kyoko NAKAMURA, Rie Annual Review 2012 FROM THE DIRECTOR-GENERAL This Annual Review 2012 is a summary of research activities performed in the Institute for Molecular Science (IMS) during September 2011–August 2012. IMS is one of the world’s core research facilities for molecular science and is a center for inter-university joint research in Japan, as well. It sets an extremely wide range of research goals, from understanding the behavior of individual molecules to that of collective molecular processes on the scale of life forms and in space. Currently, the IMS is engaged in four areas of research: Theoretical and computational molecular science, photo-molecular science, materials molecular science and life and coordination-complex molecular science. It operates seven research facilities, including the UVSOR Facility. The staff at IMS are making steady progress in basic research on molecular structures, reactions and functions demonstrating “novel molecular capabilities,” as reported in this Review. In addition to these individual research activities, IMS conducts the six special programs in the institute basis; (i) Two computational chemistry programs: TCCI (Theoretical and Computational Chemistry Initiative) as a part of CMSI (Computational Materials Science Initiative) in HPCI (High Performance Computational Infra), and Nano-science simulation for the “Grand Challenge Applications” of the next generation supercomputer projects (the latter was till March 2012), (ii) Nano- network project, including the joint research initiative using 920MHz NMR, (iii) Extreme photonics in collaboration with RIKEN, (iv) COE of molecular and materials simulations as a joint program of NINS, (v) Quantum Beam Development Program in collaboration with Kyoto University and Nagoya University, and (vi) Networked Laboratories for the Frontiers of Photon Science and Technology in collaboration with Japan Atomic Energy Research Institute, Osaka University and Kyoto University. With two IMS own international programs for Asia, namely, EXODASS (EXchange prOgram for the Development of Asian Scientific Society) and Asian Core, IMS has invited active young scientists from various East Asian countries to carry out collaborative researches. EXODASS Program is the post-JENESYS starting from 2011, aims to provide the opportunity for young researchers (e.g., master’s and doctoral students and postdoctoral researchers) from Asian countries to stay in IMS laboratories related to the basic research for environmental and energy problems. Asian Core programs now also becomes IMS own project and continue to strengthen the tie among the four key institutes of Chemical Physics in Asia, namely, KAIST in Korea, IASM in Taiwan, ICCAS in China and IMS in Japan. Three professors, Professor Tanaka, Professor Nagase, and Professor Hirata, are retired at the end of March 2012 and now become our emeritus professors. Two associate professors, Professor Yonemitsu and Professor Mitsuke, were promoted to full professsors of Chuo and Josai Universities, respectively. We are grateful to all five professors for their great contribution to IMS. As for our new faculty, five new members have joined to the our faculty. Dr. Akiyama, an expert of biomolecular systems, and Dr. Murahashi, an organometallic chemist, and Dr. Yamamoto, a solid-state chemist, becomes our full professors. Two young theoretical chemical physicists, Dr. Ishizaki and Dr. Shikano have joined us as the independent young researchers (of new associate professor positions). IMS is continuing to employ a new scientific perspective to examine the boundary between “micro” and “macro” phenomena, which is “an intrinsic arena for the generation of life” and “for the evolution of functioning molecular materials.” We do expect your advice and support for creating this new era of molecular science. September, 2012 OHMINE, Iwao Director-General, Institute for Molecular Science i Annual Review 2012 CONTENTS FROM THE DIRECTOR-GENERAL i CONTENTS ii ORGANIZATION 1 COUNCIL 2 ACTIVITIES IN EDUCATION AND COLLABORATION 4 RESEARCH ACTIVITIES 5 Theoretical and Computational Molecular Science 5 Photo-Molecular Science 29 Materials Molecular Science 51 Life and Coordination-Complex Molecular Science 77 RESEARCH FACILITIES 99 UVSOR Facility 100 Research Center for Molecular Scale Nanoscience 102 Laser Research Center for Molecular Science 103 Instrument Center 104 Equipment Development Center 105 Research Center for Computational Science 106 Okazaki Institute for Integrative Bioscience 107 Safety Office 108 SUPPORTING STAFF 109 PROGRAMS 110 Special Research Projects 110 Okazaki Conference 114 Joint Studies Programs 115 Collaboration Programs 117 AWARDS 119 LIST OF VISITING FOREIGN SCHOLARS 121 LIST OF PUBLICATIONS 124 LIST OF REVIEW ARTICLES AND TEXTBOOKS 135 INDEX 138 MAPS ii ORGANIZATION Annual Review 2012 1 COUNCIL OHMINE, Iwao Director-General Senior Scientific Advisors YANAGIDA, Toshio Specially Appointed Professor, Osaka University FLEMING, Graham R. Professor, University of California, Berkeley Foreign Councillors WOLYNES, Peter Professor, Rice University WALMSLEY, Ian A. Professor, University of Oxford The Council is the advisory board for the Director-General. Distinguished Consultants NAGAKURA, Saburo Professor Emeritus, Institute for Molecular Science, The Graduate University for Advanced Studies, and The University of Tokyo INOKUCHI, Hiroo Research Director, Toyota Physical and Chemical Research Institute ITO, Mitsuo Professor Emeritus, Institute for Molecular Science, The Graduate University for Advanced Studies, and Tohoku University KAYA, Koji Deputy Director General, Next-Generation Supercomputer R&D Center, RIKEN NAKAMURA, Hiroki Visiting Professor, National Chiao Tung University Advisory Committee ASAKURA, Kiyotaka Professor, Hokkaido University KANDORI, Hideki Professor, Nagoya Institute of Technology (Vice chair) KOHNO, Hirohiko Professor, Tohoku University MIZUTANI, Yasuhisa Professor, Osaka University MORI, Takehiko Professor, Tokyo Institute of Technology TERASAKI, Akira Professor, Kyushu University TSUKUDA, Tatsuya Professor, The University of Tokyo UMEMURA, Daisuke Professor, Kanagawa University YAMAGATA, Yuriko Professor, Kumamoto University YAMANOUCHI, Kaoru Professor, The University of Tokyo AONO, Shigetoshi Professor, Institute for Molecular Science KATO, Koichi Professor, Institute for Molecular Science KATOH, Masahiro Professor, Institute for Molecular Science KOSUGI, Nobuhiro Professor, Institute for Molecular Science (Chair) OHMORI, Kenji Professor, Institute for Molecular Science OHSHIMA, Yasuhiro Professor, Institute for Molecular Science OKAMOTO, Hiromi Professor, Institute for Molecular Science SAITO, Shinji Professor, Institute for Molecular Science UOZUMI, Yasuhiro Professor, Institute for Molecular Science YAMAMOTO, Hiroshi Professor, Institute for Molecular Science YOKOYAMA, Toshihiko Professor, Institute for Molecular Science 2 Annual Review 2012 Administration Bureau ANAZAWA, Kazuo Director, Okazaki Administration Office Director, General Affairs Department HIGUCHI, Hironori Director, Financial Affairs Department HIRANO, Shigeichi Head, General Affairs Division NODA, Yoshito Head, International Relations and Research Cooperation Division SATO, Toshiaki Head, Financial Affairs Division TANIGUCHI, Jun Head, Procurement Division TORAZAWA, Takahiko Head, Facilities Division Emeritus Professors NAGAKURA, Saburo Professor Emeritus, The Graduate University for Advanced Studies and The University of Tokyo HIROTA, Eizi Professor Emeritus, The Graduate University for Advanced Studies KIMURA, Katsumi Archives, IMS and Professor Emeritus, Japan Advanced Institute of Science and Technology MOROKUMA, Keiji Senior Research Fellow, Fukui Institute for Fundamental Chemistry, Kyoto University INOKUCHI, Hiroo Research Director, Toyota Physical and Chemical Research Institute MARUYAMA, Yusei Professor, Hosei University YOSHIHARA, Keitaro Fellow, Toyota Physical and Chemical Research Institute HANAZAKI, Ichiro Professor Emeritus, The Graduate University for Advanced Studies IWAMURA, Hiizu Professor, Nihon University SAITO, Shuji Professor Emeritus, The Graduate University for Advanced Studies IWATA, Suehiro Fellow, Toyota Physical and Chemical Research Institute ITO, Mitsuo Professor Emeritus, The Graduate University for Advanced Studies and Tohoku University KAYA, Koji Deputy Director General, Next-Generation Supercomputer R&D Center, RIKEN KITAGAWA, Teizo Professor, The University of Hyogo KOABAYASHI, Hayao Visiting Professor, Nihon University NAKAMURA, Hiroki Visiting Professor, National Chiao Tung University NISHI, Nobuyuki Professor, Tokyo Institute of Technology and Nagoya Institute of Technology YAKUSHI, Kyuya Fellow, Toyota Physical and Chemical Research Institute URISU, Tsuneo Specially Appointed Professor, Nagoya University NAGASE, Shigeru Senior Research Fellow, Fukui Institute for Fundamental Chemistry, Kyoto University HIRATA, Fumio Visiting Professor, College of Life Sciences, Ritsumeikan University TANAKA, Koji