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2011

Kurzman JA, Miao M-S, Seshadri R. 2011. Hybrid functional electronic structure of PbPdO2, a small-gap semiconductor. J. Phys.: Condens. Matte. 23:465501.

Varley J.B., Peelaers H., Janotti A., Van de Walle C.G.. 2011. Hydrogenated cation vacancies in semiconducting oxides. J. Phys.: Condens. Matter. 23:334212.

Vermaak N, Valdevit L, Evans AG, Zok FW, McMeeking RM. 2011. Implications of Shakedown for Design of Actively Cooled Thermostructural Panels. Journal of Mechanics of Materials and Structures. 6:1313.

Kioupakis E, Rinke P, Delaney KT, Van de Walle CG. 2011. Indirect Auger recombination as a cause of efficiency droop in nitride LEDs. Appl. Phys. Lett.. 98:161107.

Janotti A, Van de Walle CG. 2011. LDA and hybrid functional calculations for defects in ZnO, SnO2, and TiO2. Physica Status Solidi (b). 248:799.

Varley J.B, Janotti A., Van de Walle C.G. 2011. Mechanism of Visible-Light Photocatalysis in Nitrogen-Doped TiO2. Advanced Materials. 23:2343-2347.

Oliveira RM, Meiburg E. 2011. Miscible displacements in Hele-Shaw cells: three-dimensional Navier–Stokes simulations. Journal of Fluid Mechanics. 687:431–460.

Weber J.R, Janotti A., Van de Walle C.G. 2011. Native defects in Al2O3 and their impact on III-V/Al2O3 metal-oxide-semiconductor-based devices. Journal of Applied Physics. 109(3):33715.

Kurzman JA, Moffitt SL, Llobet A, Seshadria R. 2011. Neutron diffraction study of La4LiAuO8: Understanding Au3+ in an oxide environment. Journal of Solid State Chemistry. 184:1439.

Bleiholder C., Wyttenbach T., Bowers M.T. 2011. A novel projection approximation algorithm for the fast and accurate computation of molecular collision cross sections. Int. J. Mass Spectrom. -:inpress.

Hoang K., Janotti A., Van de Walle C.G. 2011. The Particle-Size Dependence of the Activation Energy for Decomposition of Lithium Amide.. Angewandte Chemie International Edition. -:inpress.

TL T, AD S, AT F, WR R, AM T. 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.

Shoemaker DP, Llobet A, Tachibana M, Seshadri R. 2011. Reverse Monte Carlo neutron scattering study of the’ordered-ice’oxide pyrochlore Pb2Ru2O6. Journal of Physics: Condensed Matter. 23(31):315404.

Janotti A., Van de Walle C.G.. 2011. The role of oxygen-related defects and hydrogen impurities in HfO2 and ZrO2. Microelectronic Engineering. 88(7):1452-1456.

Hur S., Frischknecht A.L, Huber D.L, Fredrickson G.H. 2011. Self-consistent field simulations of self- and directed-assembly in a mixed polymer brush. Soft Mater.. 7:8776.

Janotti A., Steiauf D., Van de Walle C.G. 2011. Strain effects on the electronic structure of SrTiO3: Toward high electron mobilities. Phys. Rev. B. 84:201304.

Christen H.M, Nam J.H, Kim H.S, Hatt A.J, Spaldin N.A. 2011. Stress-induced R-MA-MC-T symmetry changes in BiFeO3 films. Phys. Rev. B. 83:144107.

Schleife A., Varley J.B, Fuchs F., Rödl C., Bechstedt F., Rinke P., Janotti A., Van de Walle C.G. 2011. Tin dioxide from first principles: Quasiparticle electronic states and optical properties. Phys. Rev. B. 83:35116.

Lesshafft L, Meiburg E, Kneller B, Marsden A. 2011. Towards inverse modeling of turbidity currents: the inverse lock-exchange problem. Computers & Geosciences. 37(4):521–529.

2010

Limpijumnong S, Gordon L, Miao M, Janotti A, Van de Walle CG. 2010. Alternative sources of p-type conduction in acceptor-doped ZnO. Appl. Phys. Lett.. 97:72112.

Moses PGeorg, Van de Walle CG. 2010. Band bowing and band alignment in InGaN alloys. Appl. Phys. Lett.. 96:21908.

Lyons J.L, Janotti A., Van de Walle C.G. 2010. Carbon impurities and the yellow luminescence in GaN. Appl. Phys. Lett.. 97:152108.

Momida H, Cockayne E, Umezawa N, Ohno T. 2010. Computational study of the dielectric properties of [La,Sc]2O3 solid solutions. Journal of Applied Physics. 107:74104.

Van de Walle C.G, Lyons J.L, Janotti A.. 2010. Controlling the conductivity of InN. physica status solidi (a). 207:1024.

Kioupakis E, Rinke P, Van de Walle CG. 2010. Determination of Internal Loss in Nitride Lasers from First Principles. Applied Physics Express. 3:82101.

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Acknowledgements

Please acknowledge the CSC in publications and presentations if you are using our facilities computing resources in your research.

Use was made of computational facilities purchased with funds from the National Science Foundation (CNS-1725797) and administered by the Center for Scientific Computing (CSC). The CSC is supported by the California NanoSystems Institute and the Materials Research Science and Engineering Center (MRSEC; NSF DMR 1720256) at UC Santa Barbara.