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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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Steady-state simulation of metastable stochastic chemical systems

Andreas Milias-Argeitis1, John Lygeros

  • 1Automatic Control Lab, ETH Zurich, Physikstrasse 3, 8092 Zurich, Switzerland. milias@control.ee.ethz.ch

The Journal of Chemical Physics
|May 17, 2013
PubMed

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