BibTeX records: Andrew C. Simmonett

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@article{DBLP:journals/ploscb/EastmanSCMZBWSH17,
  author    = {Peter Eastman and
               Jason M. Swails and
               John D. Chodera and
               Robert McGibbon and
               Yutong Zhao and
               Kyle Beauchamp and
               Lee{-}Ping Wang and
               Andrew C. Simmonett and
               Matthew P. Harrigan and
               Chaya D. Stern and
               Rafal P. Wiewiora and
               Bernard R. Brooks and
               Vijay S. Pande},
  title     = {OpenMM 7: Rapid development of high performance algorithms for molecular
               dynamics},
  journal   = {PLoS Comput. Biol.},
  volume    = {13},
  number    = {7},
  year      = {2017},
  url       = {https://doi.org/10.1371/journal.pcbi.1005659},
  doi       = {10.1371/journal.pcbi.1005659},
  timestamp = {Thu, 10 Sep 2020 01:00:00 +0200},
  biburl    = {https://dblp.org/rec/journals/ploscb/EastmanSCMZBWSH17.bib},
  bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/KonigPHSTLDPJST16,
  author    = {Gerhard K{\"{o}}nig and
               Frank C. Pickard IV and
               Jing Huang and
               Andrew C. Simmonett and
               Florentina Tofoleanu and
               Juyong Lee and
               Pavlo O. Dral and
               Samarjeet Prasad and
               Michael R. Jones and
               Yihan Shao and
               Walter Thiel and
               Bernard R. Brooks},
  title     = {Calculating distribution coefficients based on multi-scale free energy
               simulations: an evaluation of {MM} and {QM/MM} explicit solvent simulations
               of water-cyclohexane transfer in the {SAMPL5} challenge},
  journal   = {J. Comput. Aided Mol. Des.},
  volume    = {30},
  number    = {11},
  pages     = {989--1006},
  year      = {2016},
  url       = {https://doi.org/10.1007/s10822-016-9936-x},
  doi       = {10.1007/s10822-016-9936-x},
  timestamp = {Thu, 16 Apr 2020 01:00:00 +0200},
  biburl    = {https://dblp.org/rec/journals/jcamd/KonigPHSTLDPJST16.bib},
  bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/PickardKTLSSPB16,
  author    = {Frank C. Pickard IV and
               Gerhard K{\"{o}}nig and
               Florentina Tofoleanu and
               Juyong Lee and
               Andrew C. Simmonett and
               Yihan Shao and
               Jay W. Ponder and
               Bernard R. Brooks},
  title     = {Blind prediction of distribution in the {SAMPL5} challenge with {QM}
               based protomer and p\emph{K} \({}_{\mbox{a}}\) corrections},
  journal   = {J. Comput. Aided Mol. Des.},
  volume    = {30},
  number    = {11},
  pages     = {1087--1100},
  year      = {2016},
  url       = {https://doi.org/10.1007/s10822-016-9955-7},
  doi       = {10.1007/s10822-016-9955-7},
  timestamp = {Thu, 16 Apr 2020 01:00:00 +0200},
  biburl    = {https://dblp.org/rec/journals/jcamd/PickardKTLSSPB16.bib},
  bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/HaoSYFS11,
  author    = {Qiang Hao and
               Andrew C. Simmonett and
               Yukio Yamaguchi and
               De{-}Cai Fang and
               Henry F. Schaefer III},
  title     = {From acetylene complexes to vinylidene structures: The GeC\({}_{\mbox{2}}\)H\({}_{\mbox{2}}\)
               system},
  journal   = {J. Comput. Chem.},
  volume    = {32},
  number    = {1},
  pages     = {15--22},
  year      = {2011},
  url       = {https://doi.org/10.1002/jcc.21593},
  doi       = {10.1002/jcc.21593},
  timestamp = {Sat, 30 May 2020 01:00:00 +0200},
  biburl    = {https://dblp.org/rec/journals/jcc/HaoSYFS11.bib},
  bibsource = {dblp computer science bibliography, https://dblp.org}
}
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