249 citations · 255 across the 7 of their papers we have counts for
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physics.chem-ph2024★ 1 cited
Introduction to machine learning potentials for atomistic simulations
Fabian L. Thiemann, Niamh O'Neill, Venkat Kapil +2
Machine learning potentials have revolutionised the field of atomistic simulations in recent years and are becoming a mainstay in the toolbox of computational scientists. This pape…
physics.chem-ph2024★ 249 cited
A foundation model for atomistic materials chemistry
Ilyes Batatia, Philipp Benner, Yuan Chiang +85
Atomistic simulations of matter, especially those that leverage first-principles (ab initio) electronic structure theory, provide a microscopic view of the world, underpinning much…