The 103rd CSJ Annual Meeting

Presentation information

Academic Program [Oral B]

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

[K202-2pm] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Thu. Mar 23, 2023 1:30 PM - 3:40 PM K202 (K202, Lecture Hall Bldg. [2F])

Chair: Erik Lötstedt, Nahoko KUROKI

3:00 PM - 3:20 PM

[K202-2pm-05] Double layer differential capacitance calculation by absolute electrode potential controlled MD

Ken Takahashi1, Hirofumi Sato1,2, Hiroshi Nakano3 (1. Department of molecular engineering, Kyoto University, 2. Fukui Institute for Fundamental Chemistry, 3. CD-FMat, National Institute of Advanced Industrial Science and Technology (AIST))

[Lang.] English

Keywords:Molecular dynamics (MD) simulation, Electric double layer, Differential capacitance