34th IUPAP Conference on Computational Physics(CCP2023)

講演情報

Contributed talks (Chemical physics/Biophysics/Softmatter physics)

Chemical physics/Biophysics/Softmatter physics

Parallel session 2

2023年8月7日(月) 14:00 〜 15:20 501 (Room 3) (5F)

Chair: Hisashi Okumura (Exploratory Research Center on Life and Living Systems)

14:00 〜 14:20

[C07-2-03] (Online) Effect of Nuclear Quantum Fluctuations on electronic properties of a metal-water interface and its implication on electrocatalysis

*Prasenjit Ghosh1, Unmesh Mondal1 (1. Indian Institute of Science Education and Research, Pune (India))

On-demand video

キーワード:solid-liquid interface, electrocatalysis, path integral molecular dynamics, quantum mechanics molecular mechanics

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