Citation

If you use AutoSolvate for your work, please cite us using one of the following styles:

ACS format:

Hruska, E.; Gale, A.; Huang, X.; Liu, F. AutoSolvate: A Toolkit for Automating Quantum Chemistry Design and Discovery of Solvated Molecules. J. Chem. Phys. 2022, 156, 124801

Bibtex:

@article{doi:10.1063/5.0084833,
author = {Hruska,Eugen  and Gale,Ariel  and Huang,Xiao  and Liu,Fang },
title = {AutoSolvate: A toolkit for automating quantum chemistry design and discovery of solvated molecules},
journal = {The Journal of Chemical Physics},
volume = {156},
number = {12},
pages = {124801},
year = {2022},
doi = {10.1063/5.0084833},

URL = {
        https://doi.org/10.1063/5.0084833

},
eprint = {
        https://doi.org/10.1063/5.0084833

}

}