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The XtalOpt Evolutionary Algorithm for Crystal Structure Prediction
- Source :
- The Journal of Physical Chemistry C. 125:1601-1620
- Publication Year :
- 2020
- Publisher :
- American Chemical Society (ACS), 2020.
-
Abstract
- Significant progress has been made in the field of a priori crystal structure prediction, with a number of recent remarkable success stories. Herein, we briefly outline the methods that have been d...
- Subjects :
- Field (physics)
Computer science
Evolutionary algorithm
02 engineering and technology
010402 general chemistry
021001 nanoscience & nanotechnology
01 natural sciences
0104 chemical sciences
Surfaces, Coatings and Films
Electronic, Optical and Magnetic Materials
Crystal structure prediction
General Energy
A priori and a posteriori
Physical and Theoretical Chemistry
0210 nano-technology
Algorithm
Subjects
Details
- ISSN :
- 19327455 and 19327447
- Volume :
- 125
- Database :
- OpenAIRE
- Journal :
- The Journal of Physical Chemistry C
- Accession number :
- edsair.doi...........02e0adcc6644034ecb44e6bf237180a1