illustrating the comprehensive zero-shot benchmark of 19 universal machine learning interatomic potentials and the dominant impact of training data composition for surface energy prediction. A ...
Northwestern Engineering researchers have developed a new framework using machine learning that improves the accuracy of interatomic potentials — the guiding rules describing how atoms interact — in ...
Interatomic Potentials and modelling as a tool in materials science – Prof Sir Richard Catlow, Dept. of Chemistry, UCL; School of Chemistry, Cardiff University; UK Catalysis Hub, Research Complex at ...
Electrocatalysis sits at the heart of clean hydrogen production, fuel cells, and carbon dioxide conversion, yet progress toward scalable, ...
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