横川　大輔　博士　(大阪大学蛋白質研究所)

dryokogawa

タイトル：Development of new multiple-scale methods for solution chemistry based on statistical mechanics, molecular simulation, and quantum mechanics

日時： 2011年8月26日、PM: 2:00 to 3:00

場所： 1階大セミナー室にて

Dr. Yokokawa is working in RISM-SCF and MD simulation in chemical issues in solution. He recently made new development of RISM-SCF-SEDD method which is very powerful to investigate the solvation of highly polarized species such as transition metal complexes. Also, he succeeded to propose new electrostatic potential for RISM-SCF method. He presented these new developments in RISM-SCF method in his talk.

要旨はこちら (pdfファイル)