MatOpt: A Python package for nanomaterials design using discrete optimization

Hanselman, C. L., Yin, X., Miller, D. C., & Gounaris, C. E. (2022). MatOpt: A Python package for nanomaterials design using discrete optimization. Journal of Chemical Information and Modeling, 62(2), 295-308. https://doi.org/10.1021/acs.jcim.1c00984

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