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Theoretical and Computational Chemistry

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Rafael S. Mattos

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Theoretical and Computational Chemistry

Assessing Nonadiabatic Dynamics Methods in Long Timescales

SAIKAT MUKHERJEE, Yorick Lassmann, Rafael S. Mattos, Baptiste Demoulin, Basile F. E. Curchod, Mario Barbatti

Version 1 posted 30 September 2024

299

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Theoretical and Computational Chemistry

ULaMDyn: Enhancing Excited-State Dynamics Analysis Through Streamlined Unsupervised Learning

Max Pinheiro Jr., Matheus O. Bispo, Rafael S. Mattos, Mariana Telles do Casal, Bidhan Chandra Garain, Josene M. Toldo, Saikat Mukherjee, Mario Barbatti

Version 1 posted 21 October 2024

213

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