Search Results for author: Thomas A. R. Purcell

Found 1 papers, 0 papers with code

Accelerating the Training and Improving the Reliability of Machine-Learned Interatomic Potentials for Strongly Anharmonic Materials through Active Learning

no code implementations18 Sep 2024 Kisung Kang, Thomas A. R. Purcell, Christian Carbogno, Matthias Scheffler

Molecular dynamics (MD) employing machine-learned interatomic potentials (MLIPs) serve as an efficient, urgently needed complement to ab initio molecular dynamics (aiMD).

Active Learning

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