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Benchmarking coarse-grained models of organic semiconductors via deep backmapping.
Front Chem. 2022 Sep 9;10:982757. doi: 10.3389/fchem.2022.982757. eCollection 2022.
Front Chem. 2022.
PMID: 36157043
Free PMC article.
Temporally Coherent Backmapping of Molecular Trajectories From Coarse-Grained to Atomistic Resolution.
Shmilovich K, Stieffenhofer M, Charron NE, Hoffmann M.
Shmilovich K, et al. Among authors: stieffenhofer m.
J Phys Chem A. 2022 Dec 8;126(48):9124-9139. doi: 10.1021/acs.jpca.2c07716. Epub 2022 Nov 23.
J Phys Chem A. 2022.
PMID: 36417670
Free PMC article.
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