| 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)