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Updated: Aug 14, 2026

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

Published on: April 12, 2019

Molecular dynamics simulation of the association of nonpolar spheres in water

E Spohr1, D Henderson

  • 1Department of Theoretical Chemistry, University of Ulm, Albert-Einstein-Allee 11, D-89069 Ulm, Germany.

Journal of Colloid and Interface Science
|November 18, 2005
PubMed

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