Reinforcement Learning for Traversing Chemical Structure Space: Optimizing Transition States and Minimum Energy Paths of Molecules-Reference-Cited by-同舟云学术

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Reinforcement Learning for Traversing Chemical Structure Space: Optimizing Transition States and Minimum Energy Paths of Molecules

Published:2024-01-03 Issue:1 Volume:15 Page:349-356
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Barrett Rhyan¹,Westermayr Julia¹²^ORCID

Affiliation:

1. Institute of Chemistry, Faculty of Chemistry and Mineralogy, University of Leipzig, Johannisallee 29, 04103 Leipzig, Germany

2. Center for Scalable Data Analytics and Artificial Intelligence (ScaDS.AI), Dresden/Leipzig, Humboldtstraße 25, 04105 Leipzig, Germany

Funder

Deutsche Forschungsgemeinschaft

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.3c02771

Reference56 articles.

1. ChatGPT for good? On opportunities and challenges of large language models for education

2. OpenAI. ChatGPT; OpenAI: San Francisco, CA, 2023.

3. Ascertaining price formation in cryptocurrency markets with machine learning

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