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Updated: May 17, 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

Equilibrium-distribution-function-based mesoscopic finite-difference methods for partial differential equations:

Baochang Shi1, Rui Du2, Zhenhua Chai3

  • 1Huazhong University of Science and Technology, School of Mathematics and Statistics, Wuhan 430074, China.

Physical Review. E
|May 16, 2026
PubMed
Abstract

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