Jony Castangna, Fausto Martelli, Kirk E. Jordan, Jason Crain. Simulation of large molecular systems with electronically-derived forces. Computer Physics Communications, 264:107959, 2021. [doi]
@article{CastangnaMJC21, title = {Simulation of large molecular systems with electronically-derived forces}, author = {Jony Castangna and Fausto Martelli and Kirk E. Jordan and Jason Crain}, year = {2021}, doi = {10.1016/j.cpc.2021.107959}, url = {https://doi.org/10.1016/j.cpc.2021.107959}, researchr = {https://researchr.org/publication/CastangnaMJC21}, cites = {0}, citedby = {0}, journal = {Computer Physics Communications}, volume = {264}, pages = {107959}, }