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Updated: Aug 11, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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The stochastic wave function method for diffusion of alkali atoms on metallic surfaces

E E Torres-Miyares1, D J Ward2, G Rojas-Lorenzo3

  • 1Instituto de Física Fundamental, Consejo Superior de Investigaciones Científicas, Serrano 123, 28006, Madrid, Spain. elena.torres@iff.csic.es.

Physical Chemistry Chemical Physics : PCCP
|February 9, 2023
PubMed

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