Related Experiment Video

Updated: Oct 6, 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

Machine learning molecular dynamics for reaction rates of CO oxidation on Pt(111): Impact of site preference and

Ruihao Fan1, Chen Li2, Bin Jiang1

  • 1State Key Laboratory of Precision and Intelligent Chemistry, Department of Chemical Physics, University of Science and Technology of China, Hefei, Anhui 230026, China.

The Journal of Chemical Physics
|October 5, 2026
PubMed

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