bjmorgan/bsym

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@article{Grau-CrespoEtAl_JPhysCondensMatter2007,
        author = {Grau-Crespo, R. and Hamad, S. and Catlow, C. Richard A. and de Leeuw, N. H.},
        title = {{Symmetry-adapted configurational modelling of fractional site occupancy in solids}},
        journal = {J. Phys.-Condens. Mat.},
        year = {2007},
        volume = {19},
        number = {25},
        pages = {256201}
}

@article{OngEtAl_CompMaterSci2013,
        author = {Ong, Shyue Ping and Richards, William Davidson and Jain, Anubhav and Hautier, Geoffroy and Kocher, Michael and Cholia, Shreyas and Gunter, Dan and Chevrier, Vincent L and Persson, Kristin A and Ceder, Gerbrand},
        title = {{Python Materials Genomics (pymatgen): A robust, open-source Python library for materials analysis}},
        journal = {Comp. Mater. Sci.},
        year = {2013},
        volume = {68},
        number = {C},
        pages = {314--319},
        month = feb
}

@url{bsym_version_1,
    Author = {Morgan, Benjamin J.},
    Date = {2016-01-15},
    Date-Added = {2016-07-15 10:28:25 +0000},
    Date-Modified = {2017-07-02 18:49:38 +0000},
    Title = {\texttt{bsym} - A Basic Symmetry Module},
    Urldate = {22/07/17},
    Bdsk-Url-1 = {https://github.com/bjmorgan/bsym},
    Bdsk-Url-2 = {10.5281/zenodo.833875}
}


@article{LudwigEtAl_PhysRevB2011,
    Author = {Ludwig, Christian D. R. and Gruhn, Thomas and Felser, Claudia and Windeln, Johannes},
    Date-Added = {2017-07-25 12:49:40 +0000},
    Date-Modified = {2017-07-25 12:49:54 +0000},
    Journal = {Phys. Rev. B},
    Month = may,
    Number = {17},
    Pages = {622--8},
    Title = {Defect structures in {C}u{I}n{S}e$_2$: A combination of Monte Carlo simulations and density functional theory},
    Volume = {83},
    Year = {2011}}


@article{GanoseAndScanlon_JMaterChemA2016,
    Author = {Ganose, Alex M. and Scanlon, David O.},
    Date-Added = {2017-07-25 10:59:19 +0000},
    Date-Modified = {2017-07-25 10:59:32 +0000},
    Journal = {J. Mater. Chem. A},
    Month = feb,
    Pages = {1467--1475},
    Title = {Band gap and work function tailoring of {S}n{O}$_2$ for improved transparent conducting ability in photovoltaics},
    Volume = {4},
    Year = {2016}}

@article{MorganAndWatson_JPhysChemLett2011,
    Author = {Morgan, Benjamin J. and Watson, Graeme W.},
    Date-Added = {2012-04-02 17:49:13 +0000},
    Date-Modified = {2015-11-16 08:26:50 +0000},
    Journal = {J. Phys. Chem. Lett.},
    Month = jun,
    Pages = {1657---1611},
    Title = {The Role of Lithium Ordering in the {L}i$_x${T}i{O}$_2$ Anatase $\to$ Titanate Phase Transition},
    Volume = {2},
    Year = {2011}}

@article{GrieshammerEtAl_PhysChemChemPhys2014,
    Author = {Grieshammer, Steffen and Grope, Benjamin O. H. and Koettgen, Julius and Martin, Manfred},
    Date-Added = {2017-07-25 13:19:16 +0000},
    Date-Modified = {2017-07-25 13:19:32 +0000},
    Journal = {Phys. Chem. Chem. Phys.},
    Number = {21},
    Pages = {9974--13},
    Title = {A combined {DFT}+$U$ and {M}onte {C}arlo study on rare earth doped ceria},
    Volume = {16},
    Year = {2014}}

@article{DaltonEtAl_ChemMater2012,
    Author = {Dalton, Andrew S. and Belak, Anna A. and Van Der Ven, Anton},
    Date-Added = {2012-05-22 16:18:00 +0000},
    Date-Modified = {2012-05-22 16:18:24 +0000},
    Journal = {Chem. Mater.},
    Month = apr,
    Pages = {1568--1574},
    Title = {Thermodynamics of Lithium in {T}i{O}$_2$({B}) from First Principles},
    Volume = {24},
    Year = {2012}}


@article{ZungerEtAl_PhysRevLett1990,
    Author = {Zunger, A. and Wei, S.H. and Ferreria, L. G. and Bernard, J. E.},
    Date-Added = {2017-07-25 06:16:03 +0000},
    Date-Modified = {2017-07-25 06:16:38 +0000},
    Journal = {Phys. Rev. Lett.},
    Number = {3},
    Pages = {353--356},
    Title = {Special Quasirandom Structures},
    Volume = {65},
    Year = {1990}}

@article{VanDeWalleAndCeder_JPhaseEquil2002,
    Author = {van de Walle, A. and Ceder, Gerbrand},
    Date-Added = {2017-07-25 06:17:48 +0000},
    Date-Modified = {2017-07-25 13:21:33 +0000},
    Journal = {J. Phase Equil.},
    Month = aug,
    Number = {4},
    Pages = {348--359},
    Title = {Automating first-principles phase diagram calculations},
    Volume = {23},
    Year = {2002}}

@misc{CASM_v0.2.1,
    Date-Added = {2017-07-25 06:24:40 +0000},
    Date-Modified = {2017-07-25 06:25:52 +0000},
    Doi = {10.5281/zenodo.546148},
    Howpublished = {Available from https://github.com/prisms-center/CASMcode},
    Title = {CASM, v0.2.1},
    Year = {2017},
    Bdsk-Url-1 = {http://dx.doi.org/10.5281/zenodo.546148}}


@article{TompsettAndIslam_ChemMater2013,
    Author = {Tompsett, David A. and Islam, M. Saiful},
    Date-Added = {2017-07-25 06:34:44 +0000},
    Date-Modified = {2017-07-25 06:35:08 +0000},
    Journal = {Chem. Mater.},
    Month = jun,
    Number = {12},
    Pages = {2515--2526},
    Title = {Electrochemistry of Hollandite $\alpha$-{M}n{O}$_2$: {L}i-Ion and {N}a-Ion Insertion and {L}i$_2${O} Incorporation},
    Volume = {25},
    Year = {2013}}


@article{MorganEtAl_JMaterChemA2016,
    Author = {Morgan, Benjamin J. and Carrasco, Javier and Teobaldi, Gilberto},
    Date-Added = {2017-04-03 11:28:26 +0000},
    Date-Modified = {2017-04-03 11:28:26 +0000},
    Journal = {J. Mater. Chem. A},
    Month = oct,
    Number = {43},
    Pages = {17180--17192},
    Title = {Variation in surface energy and reduction drive of a metal oxide lithium-ion anode with stoichiometry: a {DFT} study of lithium titanate spinel surfaces},
    Volume = {4},
    Year = {2016}}


@article{LerchEtAl_ModellingSimulMaterSciEng2009,
    Author = {Lerch, D. and Wieckhorst, O. and Hart, G. L. W. and Forcade, R. W. and M{\"u}ller, S.},
    Date-Added = {2017-08-18 10:07:39 +0000},
    Date-Modified = {2017-08-18 10:07:39 +0000},
    Journal = {Modelling Simul. Mater. Sci. Eng.},
    Month = jun,
    Number = {5},
    Pages = {055003--20},
    Title = {{UNCLE}: a code for constructing cluster expansions for arbitrary lattices with minimal user-input},
    Volume = {17},
    Year = {2009}}