Related Experiment Video

Updated: May 23, 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

Concurrent chemical reaction and cluster restructuring in a frustrated fluxional catalytic system identified via

Alexander Korobov1

  • 1Physical Chemistry and Materials Chemistry Department, V. N. Karazin Kharkiv National University, Kharkiv, 61022, Ukraine. a.korobov@karazin.ua.

Scientific Reports
|May 21, 2026
PubMed

Keywords:
Cluster catalysisConformationFluxionalityFrustrationKinetic Monte CarloRestructuring

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