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20082023
most citedAlloy surface segregation in reactive environments: A first-principles atomistic thermodynamics study of Ag3Pd(111) in oxygen atmospheres

153 citations · 153 across the 1 of their papers we have counts for

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physics.comp-ph2023

Beyond Independent Error Assumptions in Large GNN Atomistic Models

Janghoon Ock, Tian Tian, John Kitchin +1

The practical applications of determining the relative difference in adsorption energies are extensive, such as identifying optimal catalysts, calculating reaction energies, and de…