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Updated: May 29, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

Comparison of mode-coupling theory with molecular dynamics simulations from a unified point of view

Takayuki Narumi1, Michio Tokuyama

  • 1Department of Applied Quantum Physics and Nuclear Engineering, Kyushu University, Fukuoka 819-0395, Japan. narumi@athena.ap.kyushu-u.ac.jp

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|September 21, 2011
PubMed

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