How to Cite

If you use FLARE in your research, or any part of this repo (such as the GP implementation), please cite the following paper:

[1] Vandermause, J., Torrisi, S. B., Batzner, S., Xie, Y., Sun, L., Kolpak, A. M. & Kozinsky, B. On-the-fly active learning of interpretable Bayesian force fields for atomistic rare events. npj Comput Mater 6, 20 (2020). https://doi.org/10.1038/s41524-020-0283-z

If you use MGP or LAMMPS pair style, please cite the following paper:

[2] Xie, Y., Vandermause, J., Sun, L. et al. Bayesian force fields from active learning for simulation of inter-dimensional transformation of stanene. npj Comput Mater 7, 40 (2021). https://doi.org/10.1038/s41524-021-00510-y

Thank you for using FLARE!