Simon Batzner

E(3)-equivariant graph neural networks for data-efficient and accurate interatomic potentials

Simon Batzner, Albert Musaelian, Lixin Sun et al. · Nature Communications · 2022 · 1.5K citations · Full text

Scaling deep learning for materials discovery

Amil Merchant, Simon Batzner, Samuel S. Schoenholz et al. · Nature · 2023 · 984 citations · Full text

Learning local equivariant representations for large-scale atomistic dynamics

Albert Musaelian, Simon Batzner, Anders Johansson et al. · Nature Communications · 2023 · 544 citations · Full text

Geometric Learning, Engineering, Machine Learning +18

The design space of E(3)-equivariant atom-centred interatomic potentials

Ilyes Batatia, Simon Batzner, Dávid Péter Kovács et al. · Nature Machine Intelligence · 2025 · 118 citations · Full text

The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials

Ilyes Batatia, Simon Batzner, Dávid Péter Kovács et al. · arXiv (Cornell University) · 2022 · 98 citations · Full text

Artificial Intelligence, Engineering, Machine Learning +19