Dr. Daisuke Yokogawa (Institute for Protein Research, Osaka University)

dryokogawa

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

Time： PM: 2:00 to 3:00, 26th August, 2011.

Place： 1st floor, large room.

Abstract (.pdf file)

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.