Data-Driven Score-Based Models for Generating Stable Structures with Adaptive Crystal Cells-Reference-Cited by-同舟云学术

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Data-Driven Score-Based Models for Generating Stable Structures with Adaptive Crystal Cells

Published:2023-11-10 Issue:22 Volume:63 Page:6986-6997
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Sultanov Arsen¹,Crivello Jean-Claude¹²^ORCID,Rebafka Tabea³⁴,Sokolovska Nataliya⁵

Affiliation:

1. Univ Paris Est Creteil, CNRS, ICMPE, UMR 7182, 2 rue Henri Dunant, 94320 Thiais, France

2. CNRS-Saint-Gobain-NIMS, IRL 3629, Laboratory for Innovative Key Materials and Structures (LINK), 1-1 Namiki, 305-0044 Tsukuba, Japan

3. LPSM, Sorbonne Université, Université Paris Cité, CNRS, 75005 Paris, France

4. Université Paris-Saclay, INRAE, MaIAGE, 78350 Jouy-en-Josas, France

5. LCQB, UMR 7238 CNRS, Sorbonne Université, 75005 Paris, France

Funder

Centre National de la Recherche Scientifique

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c00969

Reference52 articles.

1. Discovery and Optimization of Materials Using Evolutionary Approaches

2. Designing Algorithms To Aid Discovery by Chemical Robots

3. Machine Learning Assisted Synthesis of Metal–Organic Nanocapsules

4. Bandgap prediction by deep learning in configurationally hybridized graphene and boron nitride

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