Functional materials

calorine: A Python package for constructing and sampling neuroevolution potential models (2024)

calorine: A Python package for constructing and sampling neuroevolution potential models. E. Lindgren, J. M. Rahm, E. Fransson, F. Eriksson, N. Österbacka, Z. Fan, and P. Erhart  Journal of Open Source Software 9, 6264 (2024) https://doi.org/10.21105/joss.06264