Evolutionary metadynamics: a novel method to predict crystal structures

How Evolutionary Crystal Structure Prediction Works—and Why

(2011) Artem R. Oganov et al.   ACCOUNTS OF CHEMICAL RESEARCH

Denser than diamond:Ab initiosearch for superdense carbon allotropes

(2011) Qiang Zhu et al.   PHYSICAL REVIEW B

Evolutionary search for superhard materials: Methodology and applications to forms of carbon and TiO2

(2011) Andriy O. Lyakhov et al.   PHYSICAL REVIEW B

How to predict very large and complex crystal structures

(2010) Andriy O. Lyakhov et al.   COMPUTER PHYSICS COMMUNICATIONS

Body-Centered TetragonalC4: A Viablesp3Carbon Allotrope

(2010) Koichiro Umemoto et al.   PHYSICAL REVIEW LETTERS

Superhard Monoclinic Polymorph of Carbon

(2009) Quan Li et al.   PHYSICAL REVIEW LETTERS

Electronegativity Identification of Novel Superhard Materials

(2008) Keyan Li et al.   PHYSICAL REVIEW LETTERS