MatPES

Dataset Summary Potential energy surface datasets with near-complete coverage of the periodic table are used to train foundation potentials (FPs), i.e., machine learning interatomic potentials (MLIPs) with near-complete coverage of the periodic table. MatPES is an initiative by the Materialyze Lab and the Materials Pro

Papers using MatPES (3)

A Foundational Potential Energy Surface Dataset for Materials2025 · 9 citesMatRIS: Toward Reliable and Efficient Pretrained Machine Learning Interatomic Potentials2026Ensemble Learning of Machine Learning Force Fields2024