2 papers
physics.comp-ph2023
A set of moment tensor potentials for zirconium with increasing complexity
Yu Luo, Jason A. Meziere, German D. Samolyuk +3
Machine learning force fields (MLFFs) are an increasingly popular choice for atomistic simulations due to their high fidelity and improvable nature. Here, we propose a hybrid small…
cond-mat.mtrl-sci2023
Accelerating Training of MLIPs Through Small-Cell Training
Jason A. Meziere, Yu Luo, Yi Zia +3
While machine-learned interatomic potentials have become a mainstay for modeling materials, designing training sets that lead to robust potentials is challenging. Automated methods…