Infusing Self-Consistency into Density Functional Theory Hamiltonian Prediction via Deep Equilibrium Models

6 June 2024

Papers citing "Infusing Self-Consistency into Density Functional Theory Hamiltonian Prediction via Deep Equilibrium Models"

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Title
Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs Yi-Lun Liao Tess E. Smidt 75 213 0 23 Jun 2022
E(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate Interatomic Potentials Simon L. Batzner Albert Musaelian Lixin Sun Mario Geiger J. Mailoa M. Kornbluth N. Molinari Tess E. Smidt Boris Kozinsky 192 1,232 0 08 Jan 2021