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

12.3K Views

10:52 min

April 12th, 2019

DOI :

10.3791/59284-v

April 12th, 2019

12,272 Views

1Department of Chemical and Biomolecular Engineering, Clemson University, 2Davidson School of Chemical Engineering, Purdue University

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Keywords Multiscale Sampling
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