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ACS Omega
(Sep 2024)
Equivariant Neural Networks Utilizing Molecular Clusters for Accurate Molecular Crystal Lattice Energy Predictions
Ankur K. Gupta,
Miko M. Stulajter,
Yusuf Shaidu,
Jeffrey B. Neaton,
Wibe A. de Jong
Affiliations
Ankur K. Gupta
Applied Mathematics and Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, California, United States
Miko M. Stulajter
Applied Mathematics and Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, California, United States
Yusuf Shaidu
Department of Physics, University of California Berkeley, Berkeley, California, United States
Jeffrey B. Neaton
Department of Physics, University of California Berkeley, Berkeley, California, United States
Wibe A. de Jong
Applied Mathematics and Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, California, United States
DOI
https://doi.org/10.1021/acsomega.4c07434
Journal volume & issue
Vol. 9, no. 38
pp. 40269 – 40282
Abstract
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No abstracts available.
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