Icosahedral short-range order in amorphous Cu80Si20 by ab initio molecular dynamics simulation study. Intermetallics. 2012;30:122-6. Abstract
Medium-range icosahedral order in quasicrystal-forming Zr2Pd binary metallic glass. Appl Phys LettAppl Phys Lett. 2011;98:231906. Abstract
Fluctuation between icosahedral and body-centered-cube short-range orders in undercooled Zr liquid. J Appl Phys. 2011;110:103518. Abstract
Competition between fcc and icosahedral short-range orders in pure and samarium-doped liquid aluminum from first principles. Phys Rev BPhys Rev B. 2011;83:224203. Abstract
Signature of Al11Sm3 fragments in undercooled Al90Sm10 liquid from ab initio molecular dynamics simulations. J Phys-Condes Matter. 2011;23:235104. Abstract
Electronic transport in large systems through a QUAMBO-NEGF approach: Application to atomic carbon chains. Phys Lett A. 2011;375:3710-5. Abstract
Electronic structure and transport of a carbon chain between graphene nanoribbon leads. J Phys-Condes Matter. 2011;23:025302. Abstract
Atomistic cluster alignment method for local order mining in liquids and glasses. Phys Rev B. 2010;82:184204. Abstract
















