Foundation models for atomistic simulation of chemistry and materials
Eric C.-Y. Yuan, Yunsheng Liu, Junmin Chen, Peichen Zhong, Sanjeev Raja, Tobias Kreiman, Santiago Vargas, Wenbin Xu, Martin Head‐Gordon, Chao Yang, Samuel M. Blau, Bingqing Cheng, Aditi S. Krishnapriyan, Teresa Head‐Gordon
Topics & Concepts
Computer scienceScalingFoundation (evidence)ObservableVariety (cybernetics)Forcing (mathematics)Field (mathematics)Multiscale modelingData scienceMolecular dynamicsSimulation modelingStatistical physicsNanotechnologyForce field (fiction)Artificial intelligenceBenchmarkingManagement scienceComputational scienceScaling lawMachine Learning in Materials ScienceBlock Copolymer Self-AssemblyInorganic Chemistry and Materials