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Lars Leon Schaaf
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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
162023
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
22023
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
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Articles 1–4