TCSP: a Template-Based Crystal Structure Prediction Algorithm for Materials Discovery
Author:
Affiliation:
1. Department of Computer Science and Engineering, University of South Carolina, Columbia, South Carolina 29201, United States
2. School of Mechanical Engineering, Guizhou University, Guiyang 550055, China
Funder
Division of Electrical, Communications and Cyber Systems
Division of Advanced Cyberinfrastructure
Division of Materials Research
Publisher
American Chemical Society (ACS)
Subject
Inorganic Chemistry,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.inorgchem.1c03879
Reference39 articles.
1. Structure prediction drives materials discovery
2. Computational Screening of All Stoichiometric Inorganic Materials
3. Generative adversarial networks (GAN) based efficient sampling of chemical composition space for inverse design of inorganic materials
4. USPEX—Evolutionary crystal structure prediction
5. Materials discovery via CALYPSO methodology
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