Electronic Excited States from Physically Constrained Machine Learning-Reference-Cited by-同舟云学术

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Electronic Excited States from Physically Constrained Machine Learning

Published:2024-02-29 Issue:3 Volume:10 Page:637-648
ISSN:2374-7943
Container-title:ACS Central Science
language:en
Short-container-title:ACS Cent. Sci.

Author:

Cignoni Edoardo¹^ORCID,Suman Divya²^ORCID,Nigam Jigyasa²^ORCID,Cupellini Lorenzo¹^ORCID,Mennucci Benedetta¹^ORCID,Ceriotti Michele²³^ORCID

Affiliation:

1. Dipartimento di Chimica e Chimica Industriale, Università di Pisa, 56126 Pisa, Italy

2. Laboratory of Computational Science and Modeling, Institut des Matériaux, École Polytechnique Fédérale de Lausanne, 1015 Lausanne, Switzerland

3. Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States

Funder

Samsung

National Center of Competence in Research Materials? Revolution: Computational Design and Discovery of Novel Materials

H2020 European Research Council

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acscentsci.3c01480

Reference68 articles.

1. Machine learning and the physical sciences

2. Introduction: Machine Learning at the Atomic Scale

3. Ab initio thermodynamics of liquid and solid water

4. Origins of structural and electronic transitions in disordered silicon

5. Device-scale atomistic modelling of phase-change memory materials

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