João Morado, Paul N. Mortenson, J. Willem M. Nissink, Jonathan W. Essex, Chris-Kriton Skylaris. Does a Machine-Learned Potential Perform Better Than an Optimally Tuned Traditional Force Field? A Case Study on Fluorohydrins. Journal of Chemical Information and Computer Sciences, 63(9):2810-2827, May 2023. [doi]
@article{MoradoMNES23,
title = {Does a Machine-Learned Potential Perform Better Than an Optimally Tuned Traditional Force Field? A Case Study on Fluorohydrins},
author = {João Morado and Paul N. Mortenson and J. Willem M. Nissink and Jonathan W. Essex and Chris-Kriton Skylaris},
year = {2023},
month = {May},
doi = {10.1021/acs.jcim.2c01510},
url = {https://doi.org/10.1021/acs.jcim.2c01510},
researchr = {https://researchr.org/publication/MoradoMNES23},
cites = {0},
citedby = {0},
journal = {Journal of Chemical Information and Computer Sciences},
volume = {63},
number = {9},
pages = {2810-2827},
}