Machine learning and excited-state molecular dynamics

Westermayr, Julia and Marquetand, Philipp (2020) Machine learning and excited-state molecular dynamics. Machine Learning: Science and Technology, 1 (4). 043001. ISSN 2632-2153

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Abstract

Machine learning is employed at an increasing rate in the research field of quantum chemistry. While the majority of approaches target the investigation of chemical systems in their electronic ground state, the inclusion of light into the processes leads to electronically excited states and gives rise to several new challenges. Here, we survey recent advances for excited-state dynamics based on machine learning. In doing so, we highlight successes, pitfalls, challenges and future avenues for machine learning approaches for light-induced molecular processes.

Item Type: Article
Subjects: Scholar Eprints > Multidisciplinary
Depositing User: Managing Editor
Date Deposited: 30 Jun 2023 04:23
Last Modified: 26 Jun 2024 11:41
URI: http://repository.stmscientificarchives.com/id/eprint/2211

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