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Updated: Aug 13, 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

Simulation of all-order density-functional perturbation theory, using the second order and the strong-correlation

Seidl1, Perdew, Kurth

  • 1Department of Physics and Quantum Theory Group, Tulane University, New Orleans, Louisiana 70118, USA.

Physical Review Letters
|September 16, 2000
PubMed

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