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Updated: Jun 28, 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

Influence of carbon curvature on molecular adsorptions in carbon-based materials: a force field approach

M K Kostov1, H Cheng, A C Cooper

  • 1Computational Modeling Center and Corporate Science and Technology Center, Air Products and Chemicals, Inc., 7201 Hamilton Boulevard, Allentown, Pennsylvania 18195-1501, USA.

Physical Review Letters
|October 9, 2002
PubMed

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