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Predicting the phase diagram of titanium dioxide with random search and pattern recognition
2020
Physical Chemistry, Chemical Physics - PCCP
Preserved Fulltext
Predicting phase stabilities of crystal polymorphs is central to computational materials science and chemistry. Such predictions are challenging because they first require searching for potential energy minima and then performing...
doi:10.1039/d0cp02513e
pmid:32459228
fatcat:geogzid4wvexngcbjxirx3tmy4