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

DOI
https://doi.org/10.1021/acsomega.4c07434
Journal volume & issue
Vol. 9, no. 38
pp. 40269 – 40282

Abstract

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