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Updated: Jul 5, 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

Describing weak interactions of biomolecules with dispersion-corrected density functional theory

I-Chun Lin1, Ursula Rothlisberger

  • 1Laboratoire de Chimie et Biochimie Computationelle, Ecole Polytechnique Fédérale de Lausanne, Lausanne, Switzerland.

Physical Chemistry Chemical Physics : PCCP
|May 10, 2008
PubMed

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