Robuta

https://lore.list.lu/dataset.xhtml?persistentId=perma:LIST.NUKTFQ Crash testing machine learning force fields for molecules, materials, and interfaces: molecular... Sep 26, 2025 - We present the second part of the rigorous evaluation of modern machine learning force fields (MLFFs) within the TEA Challenge 2023. This study provides an... crash testingmachine learningforce fields https://proceedings.mlr.press/v202/bukharin23a.html Machine Learning Force Fields with Data Cost Aware Training Jul 3, 2023 - Machine Learning Force Fields with Data Cost Aware TrainingAlexander Bukharin, Tianyi Liu, Shengjie Wang, Simiao Zuo, Weihao Gao, We... machine learningforce fieldsdatacostaware https://manual.gromacs.org/2024.4/reference-manual/functions/functions.html Interaction function and force fields - GROMACS 2024.4 documentation force fieldsinteractionfunctiongromacsdocumentation https://openkim.org/ OpenKIM · Knowledgebase of Interatomic Models · Interatomic Potentials and Force Fields openkimknowledgebasemodelsforcefields