Batatia, Ilyes

6 publications

NeurIPSW 2024 BoostMD: Accelerated Molecular Sampling Leveraging ML Force Field Features Lars Leon Schaaf, Ilyes Batatia, Jules Tilly, Thomas D Barrett

ICLR 2024 Energy-Conserving Equivariant GNN for Elasticity of Lattice Architected Metamaterials Ivan Grega, Ilyes Batatia, Gabor Csanyi, Sri Karlapati, Vikram Deshpande

ICLR 2024 Equivariant Matrix Function Neural Networks Ilyes Batatia, Lars Leon Schaaf, Gabor Csanyi, Christoph Ortner, Felix Andreas Faber

NeurIPS 2023 A General Framework for Equivariant Neural Networks on Reductive Lie Groups Ilyes Batatia, Mario Geiger, Jose Munoz, Tess Smidt, Lior Silberman, Christoph Ortner

ICMLW 2023 A Geometric Insight into Equivariant Message Passing Neural Networks on Riemannian Manifolds Ilyes Batatia

NeurIPS 2022 MACE: Higher Order Equivariant Message Passing Neural Networks for Fast and Accurate Force Fields Ilyes Batatia, David P Kovacs, Gregor Simm, Christoph Ortner, Gabor Csanyi