Our results show that while MACE accurately reproduces neutron structure factors, pair distribution functions, and Si[Q n] speciation, it performs slightly worst for elastic properties calculations.

Li 2 CO 3 is a key precursor for the production of lithium-ion batteries used in electric vehicles and portable consumer electronics, such as laptops and cell phones. In November 2024, Neptune Energy, ...

John and Willie Leone Family Department of Energy and Mineral Engineering, Pennsylvania State University, University Park, Pennsylvania 16802, United States Artie McFerrin Department of Chemical ...