Jing Huang 0004, Justin A. Lemkul, Peter K. Eastman, Alexander D. MacKerell Jr.. Molecular dynamics simulations using the drude polarizable force field on GPUs with OpenMM: Implementation, validation, and benchmarks. Journal of Computational Chemistry, 39(21):1682-1689, 2018. [doi]
@article{HuangLEM18,
title = {Molecular dynamics simulations using the drude polarizable force field on GPUs with OpenMM: Implementation, validation, and benchmarks},
author = {Jing Huang 0004 and Justin A. Lemkul and Peter K. Eastman and Alexander D. MacKerell Jr.},
year = {2018},
doi = {10.1002/jcc.25339},
url = {https://doi.org/10.1002/jcc.25339},
researchr = {https://researchr.org/publication/HuangLEM18},
cites = {0},
citedby = {0},
journal = {Journal of Computational Chemistry},
volume = {39},
number = {21},
pages = {1682-1689},
}