A foundation model for atomistic materials chemistry I Batatia, P Benner, Y Chiang, AM Elena, DP Kovács, J Riebesell, ... arXiv preprint arXiv:2401.00096, 2023 | 16 | 2023 |
Accurate energy barriers for catalytic reaction pathways: an automatic training protocol for machine learning force fields LL Schaaf, E Fako, S De, A Schäfer, G Csányi npj Computational Materials 9 (1), 180, 2023 | 12* | 2023 |
Equivariant Matrix Function Neural Networks I Batatia, LL Schaaf, H Chen, G Csányi, C Ortner, FA Faber International Conference on Learning Representations (ICLR) 2024, 2023 | 2 | 2023 |
Enhancing the local expressivity of geometric graph neural networks SW Norwood, LL Schaaf, I Batatia, A Bhowmik, G Csanyi NeurIPS 2023 Workshop: Machine Learning and the Physical Sciences, 2023 | | 2023 |