The 40th Annual Meeting of the Molecular Simulation Society of Japan
Advanced Search

Presentation Information

[C-236P]Development of an Efficient Computational Method for Solvation Free Energy at the QM/MM Level

○Shuto Saeki1, Ryoma Kaji1, Yuuki Yamashita1, Takuma Yagasaki1, Kento Kasahara1, Nobuyuki Matubayasi1 (1. Graduate School of Engineering Science, The University of Osaka)

Keywords:

Solvation Free Energy,QM/MM,Molecular dynamics simulation,Quantum chemical calculation

Back to Session information