Calculated electronic and magnetic structure of screw dislocations in alpha iron... Journal April, 2011
First principles calculation of finite temperature magnetism in Fe and Fe3C... Conference Paper April, 2011
High-Performance Field-Effect Transistors Based on Polystyrene-b-Poly(3-hexylthiophene) Diblock Copolymers Journal April, 2011
Insights into amine-based CO2 capture: an ab initio self-consistent reaction field investigation... Journal April, 2011
Phonon softening and metallization of a narrow-gap semiconductor by thermal disorder... Journal March, 2011
Structural, magnetic, and transport properties of substitutionally doped graphene nanoribbons from first-principles... Journal March, 2011
Phosphorus and phosphorus–nitrogen doped carbon nanotubes for ultrasensitive and selective molecular detection... Journal March, 2011
Accurate static and dynamic properties of liquid-electrolytes for Li-ion batteries from ab initio molecular dynamics... Journal March, 2011
