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Updated: Aug 9, 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

A multilayer multiconfiguration time-dependent Hartree simulation of the reaction-coordinate spin-boson model

Haobin Wang1, Michael Thoss2

  • 1Department of Chemistry, University of Colorado Denver, Denver, Colorado 80217-3364, USA and Beijing Computational Science Research Center, No.10 East Xibeiwang Road, Haidian District, Beijing 100193, China.

The Journal of Chemical Physics
|April 8, 2017
PubMed

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