TY - JOUR T1 - AutoSolvate: A toolkit for automating quantum chemistry design and discovery of solvated molecules AU - Hruska,Eugen AU - Gale,Ariel AU - Huang,Xiao AU - Liu,Fang Y1 - 2022/03/22 PY - 2022 DA - 2022/03/28 N1 - doi: 10.1063/5.0084833 DO - 10.1063/5.0084833 T2 - The Journal of Chemical Physics JF - The Journal of Chemical Physics JO - J. Chem. Phys. SP - 124801 VL - 156 IS - 12 PB - American Institute of Physics SN - 0021-9606 M3 - doi: 10.1063/5.0084833 UR - https://doi.org/10.1063/5.0084833 Y2 - 2022/03/22 ER -