Structurally Constrained Evolutionary Algorithm for the Discovery and Design of Metastable Phases
Author:
Affiliation:
1. Department of Chemistry, State University of New York at Buffalo, Buffalo, New York 14260-3000, United States
2. Applied Quantum Chemistry Group, E4 Team, IC2MP UMR 7285, Université de Poitiers, CNRS, Poitiers 86073, France
Funder
U.S. Department of Energy
Division of Materials Research
High-Performance Com- puting Center of Joliot-Curie Rome/TGCC GENCI (France)
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c00594
Reference94 articles.
1. The thermodynamic scale of inorganic crystalline metastability
2. Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
3. Evidence for metastable photo-induced superconductivity in K3C60
4. Metastable Superconductivity in Two-Dimensional IrTe2 Crystals
5. Comparison of the Photoelectronic and Photocatalytic Activities of Various Anatase and Rutile Forms of Titania in Pure Liquid Organic Phases and in Aqueous Solutions
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