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Learning Transferable Force Field Parameters from Ab Initio Quantum Simulations with SchNet
Khartik Uppalapati, Bora Yimenicioglu, Shakeel Abdulkareem, Bhavya Uppalapati
International Conference on Advanced Computer Theory and Engineering
DOI: 10.1109/icacte66284.2025.11412155 (Materials Science)
License: not stated (all rights reserved)
Published on 26 Sep. 2025