2 papers
cond-mat.mtrl-sci2026
Going beyond density functional theory accuracy: Leveraging experimental data to refine pre-trained machine learning interatomic potentials
Shriya Gumber, Lorena Alzate-Vargas, Benjamin T. Nebgen +4
Machine learning interatomic potentials (MLIPs) are inherently limited by the accuracy of the training data, usually consisting of energies and forces obtained from quantum mechani…
cond-mat.mtrl-sci2024
Non-stoichiometric and Subnano-heterogeneous Ln-incorporated UO2: its defect chemistry and thermal oxidation
Juejing Liu, Shinhyo Bang, Natalie S. Yaw +8
The defect chemistry and thermal oxidation of lanthanide (Ln) incorporated-UO2 are critical for understanding and predicting their behavior as enhanced fuels, mixed oxide (MOX) fue…