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Add recent QMCPACK papers to manual #757

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Add recent QMCPACK papers to manual #757

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199 changes: 171 additions & 28 deletions manual/qmcpack_papers.bib
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Expand Up @@ -328,6 +328,19 @@ @article{mcminis2013
url = {http://link.aps.org/doi/10.1103/PhysRevB.87.081108}
}

@Article{Sudheer2013,
author = {C.D. Sudheer and S. Krishnan and A. Srinivasan and P.R.C. Kent},
title = {Dynamic load balancing for petascale quantum Monte Carlo applications: The Alias method},
journal = {Computer Physics Communications},
year = {2013},
volume = {184},
number = {2},
pages = {284--292},
month = {feb},
doi = {10.1016/j.cpc.2012.09.008},
publisher = {Elsevier {BV}},
}

% (app) swingle fermi gas/liquid entanglement (swap operator in qmcpack?)
@article{swingle2013,
title = {Oscillating terms in the Renyi entropy of Fermi gases and liquids},
Expand Down Expand Up @@ -422,20 +435,16 @@ @article{clay2014
url = {http://link.aps.org/doi/10.1103/PhysRevB.89.184106}
}

% (app) foyevtsova cuprate
@article{foyevtsova2014,
title = {Ab initio},
author = {Foyevtsova, Kateryna and Krogel, Jaron T. and Kim, Jeongnim and Kent, P. R. C. and Dagotto, Elbio and Reboredo, Fernando A.},
journal = {Phys. Rev. X},
volume = {4},
issue = {3},
pages = {031003},
numpages = {7},
year = {2014},
month = {Jul},
publisher = {American Physical Society},
doi = {10.1103/PhysRevX.4.031003},
url = {http://link.aps.org/doi/10.1103/PhysRevX.4.031003}
@Article{Foyevtsova2014,
author = {Kateryna Foyevtsova and Jaron T. Krogel and Jeongnim Kim and P.{\hspace{0.167em}}R.{\hspace{0.167em}}C. Kent and Elbio Dagotto and Fernando A. Reboredo},
title = {Ab {initioQuantum} Monte~Carlo Calculations of Spin Superexchange in Cuprates: The Benchmarking Case {ofCa}2CuO3},
journal = {Physical Review X},
year = {2014},
volume = {4},
number = {3},
month = {jul},
doi = {10.1103/physrevx.4.031003},
publisher = {American Physical Society ({APS})},
}

% (method/dev) krogel energy density matrix
Expand Down Expand Up @@ -872,7 +881,7 @@ @article{shulenburger2015c

% (method/app) yang non-adiabatic atoms/dimers
@article{yang2015,
author = {Yubo Yang and Ilkka Kylänpää and Norm M. Tubman and Jaron T. Krogel and Sharon Hammes-Schiffer and David M. Ceperley},
author = {Yubo Yang and Ilkka Kyl\"anp\"a\"a and Norm M. Tubman and Jaron T. Krogel and Sharon Hammes-Schiffer and David M. Ceperley},
title = {How large are nonadiabatic effects in atomic and diatomic systems?},
journal = {The Journal of Chemical Physics},
volume = {143},
Expand Down Expand Up @@ -1173,19 +1182,153 @@ @article{zhao2016
eprint = { http://dx.doi.org/10.1021/acs.jctc.6b00508 }
}






%2017
% (method) zhao blocked linear method (arxiv)
@article{zhao2017,
title={A Blocked Linear Method for Optimizing Large Parameter Sets in Variational Monte Carlo},
author={Zhao, Luning and Neuscamman, Eric},
journal={arXiv preprint arXiv:1702.01481},
year={2017},
url={https://arxiv.org/abs/1702.01481},
@Article{Krogel2017,
author = {Jaron T. Krogel and P. R. C. Kent},
title = {Magnitude of pseudopotential localization errors in fixed node diffusion quantum Monte Carlo},
journal = {The Journal of Chemical Physics},
year = {2017},
volume = {146},
number = {24},
pages = {244101},
month = {jun},
doi = {10.1063/1.4986951},
publisher = {{AIP} Publishing},
}

@Article{Zhao2017,
author = {Luning Zhao and Eric Neuscamman},
title = {A Blocked Linear Method for Optimizing Large Parameter Sets in Variational Monte Carlo},
journal = {Journal of Chemical Theory and Computation},
year = {2017},
volume = {13},
number = {6},
pages = {2604--2611},
month = {jun},
doi = {10.1021/acs.jctc.7b00119},
publisher = {American Chemical Society ({ACS})},
}

@Article{Santana2017a,
author = {Juan A. Santana and Jaron T. Krogel and Paul R. C. Kent and Fernando A. Reboredo},
title = {Diffusion quantum Monte Carlo calculations of {SrFeO}3 and {LaFeO}3},
journal = {The Journal of Chemical Physics},
year = {2017},
volume = {147},
number = {3},
pages = {034701},
month = {jul},
doi = {10.1063/1.4994083},
publisher = {{AIP} Publishing},
}

@Article{Santana2017,
author = {Juan A. Santana and Rohan Mishra and Jaron T. Krogel and Albina Y. Borisevich and Paul R. C. Kent and Sokrates T. Pantelides and Fernando A. Reboredo},
title = {Quantum Many-Body Effects in Defective Transition-Metal-Oxide Superlattices},
journal = {Journal of Chemical Theory and Computation},
year = {2017},
volume = {13},
number = {11},
pages = {5604--5609},
month = {oct},
doi = {10.1021/acs.jctc.7b00483},
publisher = {American Chemical Society ({ACS})},
}

@Article{Shin2017,
author = {Hyeondeok Shin and Jeongnim Kim and Hoonkyung Lee and Olle Heinonen and Anouar Benali and Yongkyung Kwon},
title = {Nature of Interlayer Binding and Stacking of sp{\textendash}sp2 Hybridized Carbon Layers: A Quantum Monte Carlo Study},
journal = {Journal of Chemical Theory and Computation},
year = {2017},
volume = {13},
number = {11},
pages = {5639--5646},
month = {oct},
doi = {10.1021/acs.jctc.7b00747},
publisher = {American Chemical Society ({ACS})},
}

@Article{Kylaenpaeae2017,
author = {Ilkka Kyl\"anp\"a\"a and Janakiraman Balachandran and Panchapakesan Ganesh and Olle Heinonen and Paul R. C. Kent and Jaron T. Krogel},
title = {Accuracy of ab initio electron correlation and electron densities in vanadium dioxide},
journal = {Physical Review Materials},
year = {2017},
volume = {1},
number = {6},
month = {nov},
doi = {10.1103/physrevmaterials.1.065408},
publisher = {American Physical Society ({APS})},
}

@Article{McDaniel2017,
author = {T. McDaniel and E. F. D'Azevedo and Y. W. Li and K. Wong and P. R. C. Kent},
title = {Delayed Slater determinant update algorithms for high efficiency quantum Monte Carlo},
journal = {The Journal of Chemical Physics},
year = {2017},
volume = {147},
number = {17},
pages = {174107},
month = {nov},
doi = {10.1063/1.4998616},
publisher = {{AIP} Publishing},
}

@Article{Shea2017,
author = {Jacqueline A. R. Shea and Eric Neuscamman},
title = {Size Consistent Excited States via Algorithmic Transformations between Variational Principles},
journal = {Journal of Chemical Theory and Computation},
year = {2017},
volume = {13},
number = {12},
pages = {6078--6088},
month = {nov},
doi = {10.1021/acs.jctc.7b00923},
publisher = {American Chemical Society ({ACS})},
}

@Article{Bennett2017,
author = {M. Chandler Bennett and Cody A. Melton and Abdulgani Annaberdiyev and Guangming Wang and Luke Shulenburger and Lubos Mitas},
title = {A new generation of effective core potentials for correlated calculations},
journal = {The Journal of Chemical Physics},
year = {2017},
volume = {147},
number = {22},
pages = {224106},
month = {dec},
doi = {10.1063/1.4995643},
publisher = {{AIP} Publishing},
}

@Article{Shin2017a,
author = {Hyeondeok Shin and Ye Luo and Panchapakesan Ganesh and Janakiraman Balachandran and Jaron T. Krogel and Paul R. C. Kent and Anouar Benali and Olle Heinonen},
title = {Electronic properties of doped and defective {NiO}: A quantum Monte Carlo study},
journal = {Physical Review Materials},
year = {2017},
volume = {1},
number = {7},
month = {dec},
doi = {10.1103/physrevmaterials.1.073603},
publisher = {American Physical Society ({APS})},
}

@InBook{BenaliExascaleBook2017,
chapter = {Exascale Scientific Applications: Scalability and Performance Portability},
pages = {461-480},
title = {Development of QMCPACK for Exascale Scientific Computing},
publisher = {CRC Press},
year = {2017},
author = {Benali, Anouar and Ceperley, David and M. D’Azevedo, Ed and Dewing, Mark and Kent, Paul R. C. and Kim, Jeongnim and Krogel, Jaron T. and Li, Ying Wai and Luo, Ye and McDaniel, Tyler and Morales, Miguel A. and Mathuriya, Amrita and Shulenburger, Luke and Tubman, Norm M.},
editor = {T. P. Straatsma, K. B. Antypas, T. J. Williams},
isbn = {1-138-19754-8},
}

@Article{Kim2018,
author = {Jeongnim Kim and Andrew Baczewski and Todd Beaudet and Anouar Benali and Chandler Bennett and Mark Berrill and Nick Blunt and Edgar Josue Landinez Borda and Michele Casula and David Ceperley and Simone Chiesa and bryan K clark and Raymond Clay and Kris Delaney and Mark Dewing and Ken Esler and Hongxia Hao and Olle Heinonen and Paul R C Kent and Jaron T. Krogel and Ilkka Kyl\"anp\"a\"a and Ying Wai Li and M. Graham Lopez and Ye Luo and Fionn Malone and Richard Martin and Amrita Mathuriya and Jeremy McMinis and Cody Melton and Lubos Mitas and Miguel A. Morales and Eric Neuscamman and William Parker and Sergio Flores and Nichols A Romero and Brenda Rubenstein and Jacqueline Shea and Hyeondeok Shin and Luke Shulenburger and Andreas Tillack and Joshua Townsend and Norman Tubman and Brett van der Goetz and Jordan Vincent and D. ChangMo Yang and Yubo Yang and Shuai Zhang and Luning Zhao},
title = {{QMCPACK} : An open source ab initio Quantum Monte Carlo package for the electronic structure of atoms, molecules, and solids},
journal = {Journal of Physics: Condensed Matter},
year = {2018},
month = {mar},
doi = {10.1088/1361-648x/aab9c3},
publisher = {{IOP} Publishing},
}

@Comment{jabref-meta: databaseType:bibtex;}
Expand Down