Publications

3 publications · Topic: high-throughput

3. 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.
   • high-throughput
   • oxidation state
   • Computational tools
4. 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.
   • high-throughput
   • software
   • automation
5. 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.
   • batteries
   • computation
   • high-throughput