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physics.comp-ph2023★ 5 cited
Equivariant Tensor Network Potentials
Max Hodapp, Alexander Shapeev
Machine-learning interatomic potentials (MLIPs) have made a significant contribution to the recent progress in the fields of computational materials and chemistry due to the MLIPs'…
physics.comp-ph2021★ 1 cited
Efficient flexible boundary conditions for long dislocations
Max Hodapp
We present a novel efficient implementation of the flexible boundary condition (FBC) method, initially proposed by Sinclair et al., for large single-periodic problems. Efficiency i…