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Active learning of potential-energy surfaces of weakly bound complexes with regression-tree ensembles

  • Published:2021-10-14 Issue:14 Volume:155 Page:144109
  • ISSN:0021-9606
  • Container-title:The Journal of Chemical Physics
  • language:en
  • Short-container-title:J. Chem. Phys.

Author:

Saleh Yahya12ORCID,Sanjay Vishnu123ORCID,Iske Armin2,Yachmenev Andrey13ORCID,Küpper Jochen1345ORCID

Affiliation:

1. Center for Free-Electron Laser Science CFEL, Deutsches Elektronen-Synchrotron DESY, Notkestraße 85, 22607 Hamburg, Germany

2. Department of Mathematics, Universität Hamburg, Bundesstraße 55, 20146 Hamburg, Germany

3. Center for Ultrafast Imaging, Universität Hamburg, Luruper Chaussee 149, 22761 Hamburg, Germany

4. Department of Chemistry, Universität Hamburg, Martin-Luther-King-Platz 6, 20146 Hamburg, Germany

5. Department of Physics, Universität Hamburg, Luruper Chaussee 149, 22761 Hamburg, Germany

Funder

Deutsche Forschungsgemeinschaft

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Cited by 1 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. An Introduction to Machine Learning in Molecular Sciences;Challenges and Advances in Computational Chemistry and Physics;2023
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