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Efficient Machine Learning Force Field for Large-Scale Molecular Simulations of Organic Systems

Junbao Hu, Liyang Zhou, Jian Jiang

2024CCS Chemistry20 citationsDOIOpen Access PDF

Topics & Concepts

Field (mathematics)Force field (fiction)Scale (ratio)Computer scienceArtificial intelligencePhysicsMathematicsPure mathematicsQuantum mechanicsMachine Learning in Materials Science
Efficient Machine Learning Force Field for Large-Scale Molecular Simulations of Organic Systems | Litcius