2 papers
physics.comp-ph2024
Expanding Density-Correlation Machine Learning Representations for Anisotropic Coarse-Grained Particles
Arthur Y. Lin, Kevin K. Huguenin-Dumittan, Yong-Cheol Cho +2
Physics-based, atom-centered machine learning (ML) representations have been instrumental to the effective integration of ML within the atomistic simulation community. Many of thes…
cond-mat.mtrl-sci2023
The rule of four: anomalous stoichiometries of inorganic compounds
Elena Gazzarrini, Rose K. Cersonsky, Marnik Bercx +2
Why are materials with specific characteristics more abundant than others? This is a fundamental question in materials science and one that is traditionally difficult to tackle, gi…