Vikram Khanna, Jacob I. Monroe, Michael F. Doherty, Baron Peters. Performing solvation free energy calculations in LAMMPS using the decoupling approach. Journal of Computer-Aided Molecular Design, 34(6):641-646, 2020. [doi]
@article{KhannaMDP20,
title = {Performing solvation free energy calculations in LAMMPS using the decoupling approach},
author = {Vikram Khanna and Jacob I. Monroe and Michael F. Doherty and Baron Peters},
year = {2020},
doi = {10.1007/s10822-020-00303-3},
url = {https://doi.org/10.1007/s10822-020-00303-3},
researchr = {https://researchr.org/publication/KhannaMDP20},
cites = {0},
citedby = {0},
journal = {Journal of Computer-Aided Molecular Design},
volume = {34},
number = {6},
pages = {641-646},
}