Atomic structure and magnetic properties of Fe1-xCox alloys. J Appl Phys. 2012;111:07e338. Abstract
Superatomic orbitals in sixteen-coordinate M@Li-16 bonded by metallic bonds. Nanoscale. 2012;4:2567-70. Abstract
Ultrahigh-pressure phases of H(2)O ice predicted using an adaptive genetic algorithm. Phys Rev B. 2011;84:220105. Abstract
Identification of post-pyrite phase transitions in SiO2 by a genetic algorithm. Phys Rev BPhys Rev B. 2011;83:184102. Abstract
Comparing efficiencies of genetic and minima hopping algorithms for crystal structure prediction. Physical Chemistry Chemical Physics. 2010;12:11617-23. Abstract
Core properties of dislocations in YCu and YAg B2 intermetallic compounds. Intermetallics. 2010;18:312-8. Abstract
Statistical model of defects in Al-H system. Physical Review B. 2010;81:024105. Abstract
A first-principles divide-and-conquer approach for electronic structure of large systems and its application to graphene nanoribbons. Journal of Physics-Condensed Matter. 2009;21:235501. Abstract
Influence of the electronic structure on the ductile behavior of B2 CsCl-type AB intermetallics. Acta Materialia. 2009;57:5876-81. Abstract
















