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Updated: Sep 16, 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

Finding the Best Density Functionals for Water: Benchmarking the Forces

Shifan Cui1

  • 1Independent Researcher, Shenyang110000, China.

The Journal of Physical Chemistry. A
|September 15, 2026
PubMed

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