Coarse Grained Approach to First Principles Modeling of Radiation Cascade in Large Fe Supercells Conference Paper October, 2012
Solid-electrolyte Interphase Formation and Electrolyte Reduction at Li-ion Battery Graphite Anodes: A First- Principles Molec... Journal October, 2012
Kinetic simulation of the thermal degradation of phenethyl phenyl ether, a model compound for the beta-O-4 linkage in lignin Journal October, 2012
Neutron Scattering Studies of spin excitations in hole-doped Ba0.67K0.33Fe2As2 superconductor ... Journal October, 2012
Comment on: Accurate and fast numerical solution of Poisson’s equation for arbitrary, space-filling Voronoi polyhedra: Near... Journal September, 2012
Modeling and Characterization of the Magnetocaloric Effect in Ni2MnGa Materials Conference Paper September, 2012
Advancing Understanding and Design of Functional Materials Through Theoretical and Computational Chemical Physics Book Chapter August, 2012
Structure and Electronic Properties of Edge-Functionalized Armchair Boron Nitride Nanoribbons... Journal August, 2012
