Functional materials

Predicting neutron experiments from first principles: a workflow powered by machine learning (2025)

Predicting neutron experiments from first principles: a workflow powered by machine learning E. Lindgren,  A. J. Jackson, E.Fransson, E. Berger, G. Škoro, S. Rudić, R. Turanyi, S. Mukhopadhyay,  P.Erhart J. Mater. Chem. A (2025) 13, 25509, DOI: 10.1039/D5TA03325J