Metastable host-guest structure of carbon

New developments in evolutionary structure prediction algorithm USPEX

(2012) Andriy O. Lyakhov et al.   COMPUTER PHYSICS COMMUNICATIONS

How Evolutionary Crystal Structure Prediction Works—and Why

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

Modeling hardness of polycrystalline materials and bulk metallic glasses

(2011) Xing-Qiu Chen et al.   INTERMETALLICS

Aluminium at terapascal pressures

(2010) Chris J. Pickard et al.   NATURE MATERIALS

Hypothetical low-energy chiral framework structure of group 14 elements

(2010) Chris J. Pickard et al.   PHYSICAL REVIEW B

Body-Centered TetragonalC4: A Viablesp3Carbon Allotrope

(2010) Koichiro Umemoto et al.   PHYSICAL REVIEW LETTERS

Exotic behavior and crystal structures of calcium under pressure

(2010) Artem R. Oganov et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

A grid-based Bader analysis algorithm without lattice bias

(2009) W Tang et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Ionic high-pressure form of elemental boron

(2009) Artem R. Oganov et al.   NATURE

Superhard Monoclinic Polymorph of Carbon

(2009) Quan Li et al.   PHYSICAL REVIEW LETTERS

Prediction of incommensurate crystal structure in Ca at high pressure

(2008) S. Arapan et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA