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Open AccessEditorial

First-Principles Prediction of Structures and Properties in Crystals

1
Centre for Science at Extreme Conditions, School of Physics and Astronomy and SUPA, The University of Edinburgh, EH9 3FD Edinburgh, UK
2
Faculty of Mathematics and Natural Sciences, Cardinal Stefan Wyszyński University, 01-815 Warsaw, Poland
*
Authors to whom correspondence should be addressed.
Crystals 2019, 9(9), 463; https://doi.org/10.3390/cryst9090463
Received: 3 September 2019 / Accepted: 3 September 2019 / Published: 4 September 2019
(This article belongs to the Special Issue First-Principles Prediction of Structures and Properties in Crystals)
Note: In lieu of an abstract, this is an excerpt from the first page.

The term “first-principles calculations” is a synonym for the numerical determination of the electronic structure of atoms, molecules, clusters, or materials from ‘first principles’, i [...] View Full-Text
MDPI and ACS Style

Hermann, A.; Kurzydłowski, D. First-Principles Prediction of Structures and Properties in Crystals. Crystals 2019, 9, 463.

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