3 papers
physics.comp-ph2026
MuDirac 1.3.0: A Sustainable Software Tool for Calculating Ground State Nuclear Properties Using Muonic X-Ray Measurements
Leandro Liborio, Milan Kumar, Subindev Devadasan +4
The nuclear charge radius is one of the most fundamental quantities of the atomic nucleus. It can be deduced from a combination of experimental measurements of muonicX-raytransitio…
cond-mat.mtrl-sci2025
Autonomous thermodynamically informed database generation for machine-learned interatomic potentials and application to magnesium
Vincent G. Fletcher, Albert P. Bartók, Livia B. Pártay
We propose a novel approach for constructing training databases for Machine-Learned Interatomic Potential (MLIP) models, specifically designed to capture phase properties across a…
cond-mat.mtrl-sci2024
Experiment-driven atomistic materials modeling: A case study combining X-ray photoelectron spectroscopy and machine learning potentials to infer the structure of oxygen-rich amorphous carbon
Tigany Zarrouk, Rina Ibragimova, Albert P. Bartók +1
An important yet challenging aspect of atomistic materials modeling is reconciling experimental and computational results. Conventional approaches involve generating numerous confi…