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Simultaneous Prediction of the Magnetic and Crystal Structure of Materials Using a Genetic Algorithm
Publikováno v:
Crystals, Vol 9, Iss 9, p 439 (2019)
We introduce a number of extensions and enhancements to a genetic algorithm for crystal structure prediction, to make it suitable to study magnetic systems. The coupling between magnetic properties and crystal structure means that it is essential to
Externí odkaz:
https://doaj.org/article/9f01bf185d78495985f57580ce41faaa
