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I develop state-of-the-art theoretical methods and computational software to model molecular systems and their interactions with free electrons and photons. My effort covers three fronts: electronic structure, nonadiabatic dynamics and electron scattering methodologies. I apply these theoretical tools to tackle problems of chemical relevance. In particular, I simulate how free electrons can break molecules apart, a fundamental physical-chemical process playing major roles in many environments.
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Papers共 49 篇Author StatisticsCo-AuthorSimilar Experts
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arxiv(2024)
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Journal of chemical theory and computationno. 13 (2024): 5655-5678
Journal of chemical theory and computation (2023)
Alan G. Falkowski,Romarly F. da Costa,Marco A. P. Lima, Alexi de A. Cadena, Ronald Pocoroba, Regan Jones,Mahak Mathur,J. G. Childers,Murtadha A. Khakoo,Fabris Kossoski
JOURNAL OF CHEMICAL PHYSICSno. 19 (2023)
Journal of Chemical Theory and Computationno. 8 (2023): 2258-2269
JOURNAL OF CHEMICAL THEORY AND COMPUTATIONno. 23 (2023): 8654-8670
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