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Updated: Jul 10, 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

Temperature control algorithms in dual control volume grand canonical molecular dynamics simulations of hydrogen

Jianwei Sun1, Lucy T Zhang

  • 1Department of Mechanical Engineering, Tulane University, New Orleans, Louisiana 70118, USA.

The Journal of Chemical Physics
|November 6, 2007
PubMed

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