3 citations · 3 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2026
DFT Accuracy on Crystal Structure Prediction with Machine Learning Interatomic Potentials
Laurence I. Midgley, Chen Lin, J. Harry Moore +8
We present an evaluation of CSP-MACE-Å, a machine learning interatomic potential intended to replace DFT in crystal structure prediction (CSP). We decompose the total energy into s…
stat.ML2023★ 3 cited
Equivariant Matrix Function Neural Networks
Ilyes Batatia, Lars L. Schaaf, Huajie Chen +3
Graph Neural Networks (GNNs), especially message-passing neural networks (MPNNs), have emerged as powerful architectures for learning on graphs in diverse applications. However, MP…