Publications
The electronic structure of the partially reduced rutile TiO2(110) surface: where are the unpaired electrons located? J. Phys. Chem.. 115:4696.
.
2011. Hybrid functional electronic structure of PbPdO2, a small-gap semiconductor. J. Phys.: Condens. Matte. 23:465501.
.
2011. Hydrogenated cation vacancies in semiconducting oxides. J. Phys.: Condens. Matter. 23:334212.
.
2011. Implications of Shakedown for Design of Actively Cooled Thermostructural Panels. Journal of Mechanics of Materials and Structures. 6:1313.
.
2011. Indirect Auger recombination as a cause of efficiency droop in nitride LEDs. Appl. Phys. Lett.. 98:161107.
.
2011. LDA and hybrid functional calculations for defects in ZnO, SnO2, and TiO2. Physica Status Solidi (b). 248:799.
.
2011. Mechanism of Visible-Light Photocatalysis in Nitrogen-Doped TiO2. Advanced Materials. 23:2343-2347.
.
2011. Native defects in Al2O3 and their impact on III-V/Al2O3 metal-oxide-semiconductor-based devices. Journal of Applied Physics. 109(3):33715.
.
2011. Neutron diffraction study of La4LiAuO8: Understanding Au3+ in an oxide environment. Journal of Solid State Chemistry. 184:1439.
.
2011. A novel projection approximation algorithm for the fast and accurate computation of molecular collision cross sections. Int. J. Mass Spectrom. -:inpress.
.
2011. The Particle-Size Dependence of the Activation Energy for Decomposition of Lithium Amide.. Angewandte Chemie International Edition. -:inpress.
.
2011. Population-Based Resequencing of Experimentally Evolved Populations Reveals the Genetic Basis of Body Size Variation in Drosophila melanogaster. PLoS Genet 7(3): e1001336. doi:10.1371/journal.pgen.1001336. 7(3):e1001336.
.
2011. Reverse Monte Carlo neutron scattering study of the’ordered-ice’oxide pyrochlore Pb2Ru2O6. Journal of Physics: Condensed Matter. 23(31):315404.
.
2011. The role of oxygen-related defects and hydrogen impurities in HfO2 and ZrO2. Microelectronic Engineering. 88(7):1452-1456.
.
2011. Self-consistent field simulations of self- and directed-assembly in a mixed polymer brush. Soft Mater.. 7:8776.
.
2011. Strain effects on the electronic structure of SrTiO3: Toward high electron mobilities. Phys. Rev. B. 84:201304.
.
2011. Stress-induced R-MA-MC-T symmetry changes in BiFeO3 films. Phys. Rev. B. 83:144107.
.
2011. Tin dioxide from first principles: Quasiparticle electronic states and optical properties. Phys. Rev. B. 83:35116.
.
2011. Coalescence of surfactant covered drops in extensional flows-Effects of the interfacial diffusivity. Physics of Fluids. 24:82101.
.
2012. Confinement effects on valence-subband character and polarization anisotropy in (1122) semipolar InGaN/GaN quantum wells. Journal of Applied Physics. 111:73113.
.
2012. Contributions to membrane-embedded-protein diffusion beyond hydrodynamic theories. Phys. Rev. E. 85:61921.
.
2012. Controlling the density of the two-dimensional electron gas at the SrTiO3-LaAlO3 interface. Phys. Rev. B. 86(24):241108.
.
2012. Decomposition mechanism and the effects of metal additives on the kinetics of lithium alanate. Phys. Chem. Chem. Phys.. 14:2840.
.
2012. Defectivity in Laterally Confined Lamella-Forming Diblock Copolymers: Thermodynamic and Kinetic Aspects.. Macromolecules. 45:6253.
.
2012. Determining Biomembrane Bending Rigidities from Simulations of Modest Size. Phys. Rev. Lett. 109:28102.
.
2012.