QMMMW: A wrapper for QM/MM simulations with QUANTUM ESPRESSO and LAMMPS
| Title | QMMMW: A wrapper for QM/MM simulations with QUANTUM ESPRESSO and LAMMPS |
| Publication Type | Journal Article |
| Year of Publication | 2015 |
| Authors | Ma, C, Martin-Samos, L, Fabris, S, Laio, A, Piccinin, S |
| Journal | Computer Physics Communications |
| Volume | 195 |
| Pagination | 191-198 |
| URL | http://www.scopus.com/inward/record.url?eid=2-s2.0-84932194686&partnerID=40&md5=af05747240c68703e7f45b23785e61d8 |
| DOI | 10.1016/j.cpc.2015.04.024 |
