Crystal Structure Prediction Using Evolutionary Approach

Andriy O. Lyakhov, Artem R. Oganov, Mario Valle

Research output: Chapter in Book/Report/Conference proceedingChapterpeer-review

32 Citations (Scopus)
Original languageEnglish
Title of host publicationModern Methods of Crystal Structure Prediction
Number of pages34
ISBN (Print)9783527409396
Publication statusPublished - 25 Nov 2010
Externally publishedYes


  • Ab initio
  • Crystal structure prediction
  • Density functional theory
  • Evolutionary algorithm
  • Free energy
  • Global optimization
  • Heredity operators
  • Lattice mutation
  • Partially ionic boron
  • Superconductors
  • Superhard materials
  • Transparent sodium
  • Universal Structure Predictor: Evolutionary Xtallography (USPEX)

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