The 100th CSJ Annual Meeting

Presentation information

Academic Program (AP)

Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Sun. Mar 22, 2020 1:40 PM - 6:00 PM E2 (K402, Lecture Hall Bldg. [4F])

1E2-29~1E2-33 NAKAI, Hiromi
1E2-36~1E2-40 TAKAHASHI, Satoshi
1E2-42~1E2-46 KISHIMOTO, Naoki
1E2-49~1E2-53 SHIGETA, Yasuteru

2:00 PM - 2:20 PM

[1E2-31] Development of the New Method to Calculate Free Energy Reaction Network of High-Dimensional Metadynamics by Using Scaled Hypersphere Search Method

Oral B

○MITSUTA, Yuki; SHIGETA, Yasuteru (CCS, Univ. of Tsukuba)

PC Setting Time: 13:30-13:40

Keywords:molecular dynamics simulation, free energy calculation, metadynamics, scaled hypersphere search method, free energy reaction network

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