Citing

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If you use this code for your research, please cite for following sources:

The Journal website:

ACS

Crawford, Brad and Timalsina, Umesh and Quach, Co and Craven, Nicholas and Gilmer, Justin and McCabe, Clare and Cummings, Peter T. and Potoff, Jeffrey. MoSDeF-GOMC: Python Software for the Creation of Scientific Workflows for the Monte Carlo Simulation Engine GOMC. J. Chem. Inf. Model. 2023, 63(4), 1218-1228.

BibTeX

@article{MOSDEF_GOMC_2023_paper,
    author = {Crawford, Brad and Timalsina, Umesh and Quach, Co D. and Craven, Nicholas C. and Gilmer, Justin B. and McCabe, Clare and Cummings, Peter T. and Potoff, Jeffrey J.},
    title = {MoSDeF-GOMC: Python Software for the Creation of Scientific Workflows for the Monte Carlo Simulation Engine GOMC},
    journal = {Journal of Chemical Information and Modeling},
    volume = {63},
    number = {4},
    pages = {1218-1228},
    year = {2023},
    doi = {10.1021/acs.jcim.2c01498},
    note ={PMID: 36791286},

    url = {
    https://doi.org/10.1021/acs.jcim.2c01498

    },
    }

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The GitHub repository:

ACS

Crawford, Brad and Timalsina, Umesh and Quach, Co and Craven, Nicholas and Gilmer, Justin and McCabe, Clare and Cummings, Peter T. and Potoff, Jeffrey. MoSDeF-GOMC: Python software for the creation of scientific workflows for the Monte Carlo simulation engine GOMC, https://github.com/GOMC-WSU/MoSDeF-GOMC, 2022.

BibTeX

@Inbook{MOSDEF_GOMC_2022_python,
    author      = "Crawford, Brad  and Timalsina, Umesh and Quach, Co and Craven, Nicholas and Gilmer, Justin and McCabe, Clare and Cummings, Peter T. and  Potoff, Jeffrey",
    title       = "MoSDeF-GOMC: Python software for the creation of scientific workflows for the Monte Carlo simulation engine GOMC",
    year        = "2022",
    publisher   = "Github",
    url         = "https://github.com/GOMC-WSU/MoSDeF-GOMC"
}

Download as BibTeX or RIS

The Zenodo repository:

ACS

Crawford, Brad and Timalsina, Umesh and Quach, Co and Craven, Nicholas and Gilmer, Justin and McCabe, Clare and Cummings, Peter T. and Potoff, Jeffrey. MoSDeF-GOMC: Python software for the creation of scientific workflows for the Monte Carlo simulation engine GOMC, https://doi.org/10.5281/zenodo.7217632, 2022.

BibTeX

@software{MOSDEF_GOMC_2022_zenodo,
    author      = "Crawford, Brad  and Timalsina, Umesh and Quach, Co and Craven, Nicholas and Gilmer, Justin and McCabe, Clare and Cummings, Peter T. and  Potoff, Jeffrey",
    title       = "MoSDeF-GOMC: Python software for the creation of scientific workflows for the Monte Carlo simulation engine GOMC",
    year        = "2022",
    publisher   = "Zenodo",
    url         = "https://doi.org/10.5281/zenodo.5142483",
    doi         = "10.5281/zenodo.721763"
}

Download as BibTeX or RIS

Please also cite the MoSDeF software:
  • mBuild – A hierarchical, component based molecule builder

  • foyer – A package for atom-typing as well as applying and disseminating forcefields

  • GMSO – Flexible storage of chemical topology for molecular simulation