Search Results for author: Aubrey Toland

Found 1 papers, 0 papers with code

PolyGET: Accelerating Polymer Simulations by Accurate and Generalizable Forcefield with Equivariant Transformer

no code implementations1 Sep 2023 Rui Feng, Huan Tran, Aubrey Toland, Binghong Chen, Qi Zhu, Rampi Ramprasad, Chao Zhang

Machine learning (ML) forcefields have been developed to achieve both the accuracy of ab initio methods and the efficiency of empirical force fields.

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