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Updated: Jan 13, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Hybrid Monte Carlo metadynamics (hybridMC-MetaD)

Charlotte Shiqi Zhao1, Sun-Ting Tsai1, Sharon C Glotzer1,2

  • 1Department of Chemical Engineering, University of Michigan, Ann Arbor, Michigan 48109, USA.

The Journal of Chemical Physics
|January 12, 2026
PubMed

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