SEB correction to improve the accuracy of solvation free energy for LJ fluids:  an attempt to prepare solvent-solvent correlation function by MD simulation

Presentation information

Academic Program (AP) [Poster]

Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Sun. Mar 17, 2019 10:00 AM - 11:30 AM P (Arena, Gymnasium and Auditorium [1F])

Presentation time：Odd Poster Number 10:00-10:45 / Even Poster Number 10:45-11:30

[2PA-190] SEB correction to improve the accuracy of solvation free energy for LJ fluids: an attempt to prepare solvent-solvent correlation function by MD simulation

○MIYATA, Tatsuhiko; FUJII, Takahiro; YANO, Daigo; OGASAWARA, Yu; EBATO, Yuki (Fac. Sci., Ehime Univ.)

Keywords:Ornstein-Zernike theory、solvation free energy、bridge correction、molecular dynamics simulation、solvent-solvent correlation function

Please log in with your participant account.
» Participant Log In