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Page 1
NEXMD Software Package for Nonadiabatic Excited State Molecular Dynamics Simulations.
Malone W, Nebgen B, White A, Zhang Y, Song H, Bjorgaard JA, Sifain AE, Rodriguez-Hernandez B, Freixas VM, Fernandez-Alberti S, Roitberg AE, Nelson TR, Tretiak S. Malone W, et al. Among authors: rodriguez hernandez b. J Chem Theory Comput. 2020 Sep 8;16(9):5771-5783. doi: 10.1021/acs.jctc.0c00248. Epub 2020 Aug 6. J Chem Theory Comput. 2020. PMID: 32635739
Photoinduced Dynamics with Constrained Vibrational Motion: FrozeNM Algorithm.
Negrin-Yuvero H, Freixas VM, Rodriguez-Hernandez B, Rojas-Lorenzo G, Tretiak S, Bastida A, Fernandez-Alberti S. Negrin-Yuvero H, et al. Among authors: rodriguez hernandez b. J Chem Theory Comput. 2020 Dec 8;16(12):7289-7298. doi: 10.1021/acs.jctc.0c00930. Epub 2020 Nov 17. J Chem Theory Comput. 2020. PMID: 33201709
Coherent exciton-vibrational dynamics and energy transfer in conjugated organics.
Nelson TR, Ondarse-Alvarez D, Oldani N, Rodriguez-Hernandez B, Alfonso-Hernandez L, Galindo JF, Kleiman VD, Fernandez-Alberti S, Roitberg AE, Tretiak S. Nelson TR, et al. Among authors: rodriguez hernandez b. Nat Commun. 2018 Jun 13;9(1):2316. doi: 10.1038/s41467-018-04694-8. Nat Commun. 2018. PMID: 29899334 Free PMC article.
Exciton Spatial Dynamics and Self-Trapping in Carbon Nanocages.
Rodríguez-Hernández B, Nelson T, Oldani N, Martínez-Mesa A, Uranga-Piña L, Segawa Y, Tretiak S, Itami K, Fernandez-Alberti S. Rodríguez-Hernández B, et al. J Phys Chem Lett. 2021 Jan 14;12(1):224-231. doi: 10.1021/acs.jpclett.0c03364. Epub 2020 Dec 16. J Phys Chem Lett. 2021. PMID: 33326240