The 102nd CSJ Annual Meeting

Presentation information

Academic Program [Oral A]

02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry » Oral A

[A204-3am] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Fri. Mar 25, 2022 9:00 AM - 11:30 AM A204 (Online Meeting)

Chair: Yasuteru Shigeta, Yoshiki Ishii

9:20 AM - 9:30 AM

[A204-3am-03] All-atom MD analysis of adsorption stability on the aspirin crystal surface

Teppei Matsumura1, Senri Tanaka2, Nobuyuki Matubayasi2 (1. Engineering Science, Osaka University, 2. Graduate School of Engineering Science, Osaka University)

[Lang.] Japanese

Keywords:crystal surface, physical adsorption, All-atom Molecular Dynamics, Energy Representation Method