Title | Performing solvation free energy calculations in LAMMPS using the decoupling approach |
Publication Type | Journal Article |
Year of Publication | 2020 |
Authors | Khanna V, Monroe JI, Doherty MF, Peters B |
Journal | Journal of Computer-Aided Molecular Design |
Pagination | 1–6 |
DOI | 10.1007/s10822-020-00303-3 |
Grant:
CSC, MRL (new) (DMR-1720256), MRI (CNS-1725797)