A multipole-based water potential with implicit polarization for biomolecular simulations

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Updated: Jul 1, 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

T R Walsh1, T Liang

  • 1Department of Chemistry and Centre for Scientific Computing, University of Warwick, Coventry, CV4 7AL, United Kingdom. t.walsh@warwick.ac.uk

Journal of Computational Chemistry
|September 12, 2008
PubMed

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