CGCompiler: Automated Coarse-Grained Molecule Parametrization via Noise-Resistant Mixed-Variable Optimization
2023 | journal article. A publication with affiliation to the University of Göttingen.
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CGCompiler: Automated Coarse-Grained Molecule Parametrization via Noise-Resistant Mixed-Variable Optimization
Stroh, K. S.; Souza, P. C. T.; Monticelli, L. & Risselada, H. J. (2023)
Journal of Chemical Theory and Computation, 19(22) pp. 8384-8400. DOI: https://doi.org/10.1021/acs.jctc.3c00637
