MPTraj
Emerging6papers using it
2024first seen
Papers using MPTraj (6)
- Information Routing in Atomistic Foundation Models: How Task Alignment and Equivariance Shape Linear DisentanglementExpanding Universal Machine Learning Interatomic Potentials to 97 Elements Towards Nuclear ApplicationsBetter without U: Impact of Selective Hubbard U Correction on Foundational MLIPsFacet: highly efficient E(3)-equivariant networks for interatomic potentialsFastCHGNet: Training one Universal Interatomic Potential to 1.5 Hours with 32 GPUsOpen Materials 2024 (OMat24) Inorganic Materials Dataset and Models