BibTeX records: Yihan Shao

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@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/GhoshKVFKSGKS13,
  author    = {Debashree Ghosh and
               Dmytro Kosenkov and
               Vitalii Vanovschi and
               Joanna Flick and
               Ilya Kaliman and
               Yihan Shao and
               Andrew T. B. Gilbert and
               Anna I. Krylov and
               Lyudmila V. Slipchenko},
  title     = {Effective fragment potential method in {Q-CHEM:} {A} guide for users
               and developers},
  journal   = {J. Comput. Chem.},
  volume    = {34},
  number    = {12},
  pages     = {1060--1070},
  year      = {2013},
  url       = {https://doi.org/10.1002/jcc.23223},
  doi       = {10.1002/jcc.23223},
  timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
  biburl    = {https://dblp.org/rec/journals/jcc/GhoshKVFKSGKS13.bib},
  bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/JRSRSH07,
  author    = {Robert A. Distasio Jr. and
               Ryan P. Steele and
               Young Min Rhee and
               Yihan Shao and
               Martin Head{-}Gordon},
  title     = {An improved algorithm for analytical gradient evaluation in resolution-of-the-identity
               second-order M{\o}ller-Plesset perturbation theory: Application to
               alanine tetrapeptide conformational analysis},
  journal   = {J. Comput. Chem.},
  volume    = {28},
  number    = {5},
  pages     = {839--856},
  year      = {2007},
  url       = {https://doi.org/10.1002/jcc.20604},
  doi       = {10.1002/jcc.20604},
  timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
  biburl    = {https://dblp.org/rec/journals/jcc/JRSRSH07.bib},
  bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/JungSH07,
  author    = {Yousung Jung and
               Yihan Shao and
               Martin Head{-}Gordon},
  title     = {Fast evaluation of scaled opposite spin second-order M{\o}ller-Plesset
               correlation energies using auxiliary basis expansions and exploiting
               sparsity},
  journal   = {J. Comput. Chem.},
  volume    = {28},
  number    = {12},
  pages     = {1953--1964},
  year      = {2007},
  url       = {https://doi.org/10.1002/jcc.20590},
  doi       = {10.1002/jcc.20590},
  timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
  biburl    = {https://dblp.org/rec/journals/jcc/JungSH07.bib},
  bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/bibe/FreindorfJSKF07,
  author    = {Marek Freindorf and
               Matthew D. Jones and
               Yihan Shao and
               Jing Kong and
               Thomas R. Furlani},
  title     = {Large-Scale {QM/MM} Calculations of Electronic Excitations in Yellow
               Protein: Toward Petascale Level of Protein Calculations},
  booktitle = {Proceedings of the 7th {IEEE} International Conference on Bioinformatics
               and Bioengineering, {BIBE} 2007, October 14-17, 2007, Harvard Medical
               School, Boston, MA, {USA}},
  pages     = {614--619},
  publisher = {{IEEE} Computer Society},
  year      = {2007},
  url       = {https://doi.org/10.1109/BIBE.2007.4375624},
  doi       = {10.1109/BIBE.2007.4375624},
  timestamp = {Wed, 16 Oct 2019 14:14:56 +0200},
  biburl    = {https://dblp.org/rec/conf/bibe/FreindorfJSKF07.bib},
  bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/biocomp/FreindorfSKF06,
  author    = {Marek Freindorf and
               Yihan Shao and
               Jing Kong and
               Thomas R. Furlani},
  editor    = {Hamid R. Arabnia and
               Homayoun Valafar},
  title     = {Combined {QM/MM} Studies of Binding Effect of Cytochrome P450cam to
               Putidaredoxin},
  booktitle = {Proceedings of the 2006 International Conference on Bioinformatics
               {\&} Computational Biology, BIOCOMP'06, Las Vegas, Nevada, USA,
               June 26-29, 2006},
  pages     = {391--398},
  publisher = {{CSREA} Press},
  year      = {2006},
  timestamp = {Fri, 27 Jul 2007 01:00:00 +0200},
  biburl    = {https://dblp.org/rec/conf/biocomp/FreindorfSKF06.bib},
  bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/FreindorfSFK05,
  author    = {Marek Freindorf and
               Yihan Shao and
               Thomas R. Furlani and
               Jing Kong},
  title     = {Lennard-Jones parameters for the combined {QM/MM} method using the
               B3LYP/6-31G*/AMBER potential},
  journal   = {J. Comput. Chem.},
  volume    = {26},
  number    = {12},
  pages     = {1270--1278},
  year      = {2005},
  url       = {https://doi.org/10.1002/jcc.20264},
  doi       = {10.1002/jcc.20264},
  timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
  biburl    = {https://dblp.org/rec/journals/jcc/FreindorfSFK05.bib},
  bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/SaravananSBRH03,
  author    = {Chandra Saravanan and
               Yihan Shao and
               Roi Baer and
               Philip N. Ross and
               Martin Head{-}Gordon},
  title     = {Sparse matrix multiplications for linear scaling electronic structure
               calculations in an atom-centered basis set using multiatom blocks},
  journal   = {J. Comput. Chem.},
  volume    = {24},
  number    = {5},
  pages     = {618--622},
  year      = {2003},
  url       = {https://doi.org/10.1002/jcc.10224},
  doi       = {10.1002/jcc.10224},
  timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
  biburl    = {https://dblp.org/rec/journals/jcc/SaravananSBRH03.bib},
  bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/KongWKSAFLLGAOGKRMNSBMDDZKBBVOHHIFWJGHP00,
  author    = {Jing Kong and
               Christopher A. White and
               Anna I. Krylov and
               David Sherrill and
               Ross D. Adamson and
               Thomas R. Furlani and
               Michael S. Lee and
               Aaron M. Lee and
               Steven R. Gwaltney and
               Terry R. Adams and
               Christian Ochsenfeld and
               Andrew T. B. Gilbert and
               Gary S. Kedziora and
               Vitaly A. Rassolov and
               David R. Maurice and
               Nikhil Nair and
               Yihan Shao and
               Nicholas A. Besley and
               Paul E. Maslen and
               Jeremy P. Dombroski and
               Holger Daschel and
               Weimin Zhang and
               Prakashan P. Korambath and
               Jon Baker and
               Edward F. C. Byrd and
               Troy A. Van Voorhis and
               Manabu Oumi and
               So Hirata and
               Chao{-}Ping Hsu and
               Naoto Ishikawa and
               Jan Flori{\'{a}}n and
               Arieh Warshel and
               Benny G. Johnson and
               Peter M. W. Gill and
               Martin Head{-}Gordon and
               John A. Pople},
  title     = {Q-Chem 2.0: a high-performance ab initio electronic structure program
               package},
  journal   = {J. Comput. Chem.},
  volume    = {21},
  number    = {16},
  pages     = {1532--1548},
  year      = {2000},
  url       = {https://doi.org/10.1002/1096-987X(200012)21:16\&\#60;1532::AID-JCC10\&\#62;3.0.CO;2-W},
  doi       = {10.1002/1096-987X(200012)21:16\&\#60;1532::AID-JCC10\&\#62;3.0.CO;2-W},
  timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
  biburl    = {https://dblp.org/rec/journals/jcc/KongWKSAFLLGAOGKRMNSBMDDZKBBVOHHIFWJGHP00.bib},
  bibsource = {dblp computer science bibliography, https://dblp.org}
}
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