Albert Musaelian

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

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

Evolution of Metastable Structures at Bimetallic Surfaces from Microscopy and Machine-Learning Molecular Dynamics

Jin Soo Lim, Jonathan Vandermause, M. A. Van Spronsen et al. · Journal of the American Chemical Society · 2020 · 73 citations · Full text