Citing MoSDeF

If the Molecular Simulation Design Framework (MoSDeF) has been used for significant portion of your research and if you would like to acknowledge MoSDeF, we suggest citing the following paper:

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Cummings, P. T.; McCabe, C.; Iacovella, C. R.; Ledeczi, A.; Jankowski, E.; Jayaraman, A.; Palmer, J. C.; Maginn, E. J.; Glotzer, S. C.; Anderson, J. A.; Siepmann, J. I.; Potoff, J.; Matsumoto, R. A.; Gilmer, J. B.; DeFever, R. S.; Singh, R.; Crawford, B. Open-Source Molecular Modeling Software in Chemical Engineering Focusing on the Molecular Simulation Design Framework. AIChE Journal 2021, 67 (3), e17206. https://doi.org/10.1002/aic.17206. downloadris downloadbib


Citing mBuild

If mBuild has been used for significant portion of your research and if you would like to acknowledge mBuild, we suggest citing the following paper:

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Klein, C.; Sallai, J.; Jones, T. J.; Iacovella, C. R.; McCabe, C.; Cummings, P. T. A Hierarchical, Component Based Approach to Screening Properties of Soft Matter. In Foundations of Molecular Modeling and Simulation: Select Papers from FOMMS 2015; Snurr, R. Q., Adjiman, C. S., Kofke, D. A., Eds.; Molecular Modeling and Simulation; Springer Singapore: Singapore, 2016; pp 79–92. https://doi.org/10.1007/978-981-10-1128-3_5. downloadris downloadbib


Citing foyer

If foyer has been used for significant portion of your research and if you would like to acknowledge foyer, we suggest citing the following paper:

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Klein, C.; Summers, A. Z.; Thompson, M. W.; Gilmer, J. B.; McCabe, C.; Cummings, P. T.; Sallai, J.; Iacovella, C. R. Formalizing Atom-Typing and the Dissemination of Force Fields with Foyer. Computational Materials Science 2019, 167, 215–227. https://doi.org/10.1016/j.commatsci.2019.05.026. downloadris downloadbib

Additional publications around the MoSDeF ecosystem can be accessed here