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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

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Haptic quantum chemistry

Konrad H Marti1, Markus Reiher

  • 1Laboratorium für Physikalische Chemie, ETH Zurich, Wolfgang-Pauli-Str. 10, CH-8093 Zurich, Switzerland.

Journal of Computational Chemistry
|January 9, 2009
PubMed

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