Simmate: a framework for materials science

Python Submitted 08 April 2022Published 19 July 2022

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Jack D. Sundberg (0000-0001-5739-8919), Siona S. Benjamin (0000-0002-3822-9762), Lauren M. McRae (0000-0002-0360-9626), Scott C. Warren (0000-0002-2883-0204)


Sundberg et al., (2022). Simmate: a framework for materials science. Journal of Open Source Software, 7(75), 4364,

@article{Sundberg2022, doi = {10.21105/joss.04364}, url = {}, year = {2022}, publisher = {The Open Journal}, volume = {7}, number = {75}, pages = {4364}, author = {Jack D. Sundberg and Siona S. Benjamin and Lauren M. McRae and Scott C. Warren}, title = {Simmate: a framework for materials science}, journal = {Journal of Open Source Software} }
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