Related Experiment Video

Updated: Jun 28, 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

Materials genes of heterogeneous catalysis from clean experiments and artificial intelligence

Lucas Foppa1,2, Luca M Ghiringhelli1,2, Frank Girgsdies1

  • 1Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany.

MRS Bulletin
|February 28, 2022
PubMed

Keywords:
Artificial intelligenceCatalyticDataMaterials genomeSurface chemistry

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