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XTALOPT Version r12: An open-source evolutionary algorithm for crystal structure prediction

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OA
AI
P
Patrick Avery
C
Cormac Toher
S
Stefano Curtarolo
E
Eva Zurek *
DOI:10.1016/j.cpc.2018.11.016delete
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Abstract

Abstract

En
Keywords:
Structure prediction
Materials discovery
Evolutionary algorithm
Genetic algorithm
Crystal structures
Superhard materials
X-ray diffraction pattern
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Key information extracted from the uploaded paper, including a brief overview, abstract, background, key highlights, visual analysis, and future outlook.

Journal

Computer Physics Communications cover
Computer Physics Communications
IF:
3.4
Papers:
1.2W
Citations:
3.7W

Organization

S
state university of new york (suny) system
Scholars:
6.5W
Papers: 5.8W
Citations: 65
U
university at buffalo, suny
Scholars:
1.2W
Papers: 9.5K
Citations: 9