CREST International Symposium on Theory and Simulations of Complex Molecular Systems

A symposium was held on CREST research area “Simulations of Complexes Molecular Systems Utilizing Hybrid Molecular Theories” (Research Leader: Keiji Morokuma, research leader of Fukui Institute for Fundamental Chemistry, Kyoto University; CREST research area “High Performance Computing for Multi-Scale and Multi-physics Phenomena”).

Theory and simulation research of complex molecular systems are expected to enable experiments and provide complementary information about the structure, function and reaction of complex molecular systems such as proteins, solutions and nanostructures, and to provide guidelines on synthesis and formation of complex molecular systems in the future.

As this CREST research enters into its 4th year, and results are being achieved in areas that this research is especially focusing on, such as theory/simulation of carbon nanostructure growth mechanism, theory/simulation of homogeneous catalytic systems by transition metal complexes, and theory/simulation of chemical reaction mechanism within protein environment, etc.

Consequently, this symposium will be aiming to gain further driving force toward completing this CREST research by announcing the research results of this research themes in Japan and abroad, and at the same time, inviting the world’s top-level researchers who are active in relatively neighboring fields as well as Japanese researchers who are active in molecular theory/simulation fields, and holding active discussions. In this symposium, lectures and enthusiastic discussions took place at the bio, nano, transition metal and industrial application sessions by 14 invited speakers from abroad (U.S., Germany, Sweden, France, Korea and Taiwan) and 12 invited speakers from Japan. We included researchers from research themes other than the CREST research area “High Performance Computing for Multi-Scale and Multi-physics Phenomena” among the Japanese invited speakers to promote the exchange of related research fields. Also, 76 themes were presented at poster sessions and poster awards were given to young researchers.

Also, young researchers from Thailand, Singapore, and Vietnam who were staying at the Fukui Center this summer under the Exchange Program for East Asian Young Researchers - Invitation from EAS Member Countries - by the Japan Society for the Promotion of Science participated in the symposium, gave poster lectures, and further provided an international atmosphere to the conference.