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Tianjun Xie

Department of Chemical and Biomolecular Engineering

Clemson University

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Clemson University

JOVE ARTICLES

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Cameron J. Bodenschatz^*,1,

Xiaohong Zhang^*,1,

Tianjun Xie^*,1,

Jeremy Arvay^1,2,

Sapna Sarupria¹,

Rachel B. Getman¹

¹Department of Chemical and Biomolecular Engineering, Clemson University,

²Davidson School of Chemical Engineering, Purdue University

Chemistry

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