MPTraj

Papers using MPTraj (6)

Information Routing in Atomistic Foundation Models: How Task Alignment and Equivariance Shape Linear Disentanglement2026Expanding Universal Machine Learning Interatomic Potentials to 97 Elements Towards Nuclear Applications2026Better without U: Impact of Selective Hubbard U Correction on Foundational MLIPs2026Facet: highly efficient E(3)-equivariant networks for interatomic potentials2025FastCHGNet: Training one Universal Interatomic Potential to 1.5 Hours with 32 GPUs2024Open Materials 2024 (OMat24) Inorganic Materials Dataset and Models2024 · 91 cites