3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning-Reference-Cited by-同舟云学术

3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning

Published:2020-08-31 Issue:10 Volume:60 Page:4518-4535
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Court Callum J.¹,Yildirim Batuhan¹^ORCID,Jain Apoorv¹²,Cole Jacqueline M.¹³²^ORCID

Affiliation:

1. Cavendish Laboratory, Department of Physics, University of Cambridge, J. J. Thomson Avenue, Cambridge, CB3 0HE, U.K.

2. Department of Chemical Engineering and Biotechnology, University of Cambridge,, West Cambridge Site, Philippa Fawcett Drive, Cambridge, CB3 0AS, U.K.

3. ISIS Neutron and Muon Source, STFC Rutherford Appleton Laboratory, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0QX, U.K.

Funder

Royal Academy of Engineering

BASF

Publisher

American Chemical Society (ACS)

Subject

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

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.jcim.0c00464

Reference81 articles.

1. Materials informatics

2. New opportunities for materials informatics: Resources and data mining techniques for uncovering hidden relationships

3. Crystals from first principles

4. Nobel Lecture: Electronic structure of matter—wave functions and density functionals

5. Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

Cited by 60 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. Unsupervised learning of charge-discharge cycles from various lithium-ion battery cells to visualize dataset characteristics and to interpret model performance;Energy and AI;2024-09

2. Generative AI for Materials Discovery: Design Without Understanding;Engineering;2024-08

3. Multi-Objective Quality-Diversity for Crystal Structure Prediction;Proceedings of the Genetic and Evolutionary Computation Conference;2024-07-14

4. Has generative artificial intelligence solved inverse materials design?;Matter;2024-07

5. Data mining of arsenic-based small molecules geometrics present in Cambridge structural database;Chemosphere;2024-07