Refining coarse-grained molecular topologies: a Bayesian optimization approach.
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| Title: | Refining coarse-grained molecular topologies: a Bayesian optimization approach. |
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| Authors: | Ray, Pranoy1,2,3, Generale, Adam P.1,3, Vankireddy, Nikhith3,4, Asoma, Yuichiro5, Nakauchi, Masataka5, Lee, Haein5, Yoshida, Katsuhisa5, Okuno, Yoshishige5, Kalidindi, Surya R.1,2,3, surya.kalidindi@me.gatech.edu |
| Source: | NPJ Computational Materials; 7/16/2025, Vol. 11 Issue 1, p1-11, 11p |
| Database: | Applied Science & Technology Source |
| ISSN: | 20573960 |
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| DOI: | 10.1038/s41524-025-01729-9 |
