S.M. Weaver, J.D. Sundberg, C.C. Slamowitz, R.C. Radomsky, M.G. Lanetti, L.M. McRae, S.C. Warren. Counting electrons in electrides. J. Am. Chem. Soc., (2023), 145, 26472-26476.
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J. D. Sundberg, S. S. Benjamin, L. A. McRae, & S. C. Warren. Simmate: a framework for materials science. Journal of Open Source Software, (2022), 7, 4364.
Please see our Github repository and simmate.org.
J.D. Sundberg, D.L. Druffel, L.M. McRae, M.G. Lanetti, J.T. Pawlik, S.C. Warren. High-throughput discovery of fluoride-ion conductors via a decoupled, dynamic, and iterative (DDI) framework. npj Computational Materials, (2022), 8, 106.
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