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 · 1.7K citations · Full text

Natural Sciences, Chemistry, Physics +17

Scaling deep learning for materials discovery

Amil Merchant, Simon Batzner, Samuel S. Schoenholz et al. · Nature · 2023 · 1.2K citations · Full text

Natural Sciences, Chemistry, Materials Science +17

Learning local equivariant representations for large-scale atomistic dynamics

Albert Musaelian, Simon Batzner, Anders Johansson et al. · Nature Communications · 2023 · 623 citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +16

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

Ilyes Batatia, Simon Batzner, Dávid Péter Kovács et al. · Nature Machine Intelligence · 2025 · 154 citations · Full text

Natural Sciences, Chemistry, Physics +17

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

Ilyes Batatia, Simon Batzner, Dávid Péter Kovács et al. · arXiv (Cornell University) · 2022 · 101 citations · Full text

Natural Sciences, Chemistry, Computer Science +16