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2013

Miao M.S, Yan Q.M, Van de Walle C.G.. 2013. Electronic structure of a single-layer InN quantum well in a GaN matrix. Appl. Phys. Lett.. 102:102103.

Kioupakis E., Rinke P., Janotti A., Yan Q., Van de Walle C.G.. 2013. Energy Conversion: Solid-State Lighting. Energy Conversion: Solid-State Lighting, in Computational Approaches to Energy Materials (eds A. Walsh, A. A. Sokol and C. R. A. Catlow).

Sun XY, Li B, Metiu H. 2013. Ethane Activation by Nb-Doped NiO. The Journal of Physical Chemistry C. 117:23597–23608.

Speiser DI, Lampe RI, Lovdahl VR, Carrillo-Zazueta B, Rivera AS, Oakley TH. 2013. Evasion of Predators Contributes to the Maintenance of Male Eyes in Sexually Dimorphic Euphilomedes ostracods (Crustacea). Integrative and Comparative Biology. (in press)

Schultz D, Gardner K, Oemrawsingh SSR, sević NMarke\v, Olsson K, Debord M, Bouwmeester D, Gwinn E. 2013. Evidence for Rod-Shaped DNA-Stabilized Silver Nanocluster Emitters. Advanced Materials. in press

Dickinson BC, Leconte AM, Allen B, Esvelt KM, Liu DR. 2013. Experimental interrogation of the path dependence and stochasticity of protein evolution using phage-assisted continuous evolution. Proceedings of the National Academy of Sciences. 110:9007–9012.

Wang Y, Atzberger P. 2013. Fluctuating hydrodynamic methods for fluid-structure interactions in confined channel geometries. submitted)(available: http://www. atzberger. org).

Brandt EG. 2013. Fluctuating hydrodynamics simulations of coarse-grained lipid membranes under steady-state conditions and in shear flow. Physical Review E. 88:012714.

Ratcliff EL, II RCBakus, Welch GC, van der Poll TS, Garcia A, Cowan SR, MacLeod BA, Ginley DS, Bazan GC, Olson DC. 2013. Formation of interfacial traps upon surface protonation in small molecule solution processed bulk heterojunctions probed by photoelectron spectroscopy. Journal of Materials Chemistry C. 1:6223–6234.

Alexandrou MA, Swartz BA, Matzke NJ, Oakley TH. 2013. Genome duplication and multiple evolutionary origins of complex migratory behavior in Salmonidae. Molecular phylogenetics and evolution. 69:514–523.

Wang Y, Yepremyan A, Ghorai S, Todd R, Aue DH, Zhang L. 2013. Gold-Catalyzed Cyclizations of cis-Enediynes: Insights into the Nature of Gold–Aryne Interactions. Angewandte Chemie. 125:7949–7953.

Chen R., Ju H., Jiang H.C, Starykh O.A, Balents L.. 2013. Ground states of spin-1/2 triangular antiferromagnets in a magnetic field. Phys. Rev. B. (in press)

Buluc A, Duriakova E, Fox A, Gilbert JR, Kamil S, Lugowski A, Oliker L, Williams S. 2013. High-productivity and high-performance analysis of filtered semantic graphs. Parallel & Distributed Processing (IPDPS), 2013 IEEE 27th International Symposium on.

Laachi N, Delaney KT, Kim B, Hur S-M, Bristol R, Shykind D, Weinheimer CJ, Fredrickson GH. 2013. The hole shrink problem: Theoretical studies of directed self-assembly in cylindrical confinement. SPIE Advanced Lithography.

Sigurdsson J.K., Brown F.L.H., Atzberger P.J.. 2013. Hybrid Continuum-Particle Method for Fluctuating Lipid Bilayer Membranes with Diffusing Protein Inclusions. J. of Comp. Phys.. 252:65.

Choi M, Lyons JL, Janotti A, Van de Walle CG. 2013. Impact of carbon and nitrogen impurities in high-k dielectrics on metal-oxide-semiconductor devices. Appl. Phys. Lett. 102:142902.

Lyons JL, Janotti A, Van de Walle CG. 2013. Impact of Group-II Acceptors on the Electrical and Optical Properties of GaN. J. Appl. Phys.. 52:08JJ04.

Choi M, Lyons JL, Janotti A, Van de Walle CG. 2013. Impact of native defects in high-k dielectric oxides on GaN/oxide metal–oxide–semiconductor devices. physica status solidi (b). 250:787–791.

Welch GC, Bakus RCharles, Teat SJ, Bazan GC. 2013. Impact of Regiochemistry and Isoelectronic Bridgehead Sub-stitution on the Molecular Shape and Bulk Organization of Narrow Bandgap Chromophores. Journal of the American Chemical Society. 135:2298.

Larini L, Gessel MMurray, LaPointe NE, Do TD, Bowers M, Feinstein SC, Shea J-E. 2013. Initiation of Assembly of Tau(273-284) and its DK280 Mutant: An Experimental and Computational Study. Phys. Chem. Chem. Phys.. 15:8916-8928.

Siebenhuhner F, Weiss SA, Coppola R, Weinberger DR, Bassett DS. 2013. Intra-and Inter-Frequency Brain Network Structure in Health and Schizophrenia. PLoS ONE. 8(8)

Bleiholder C, Do TD, Wu C, Economou NJ, Bernstein SS, Buratto SK, Shea J-E, Bowers MT. 2013. Ion Mobility Spectrometry Reveals the Mechanism of Amyloid Formation of A beta (25–35) and Its Modulation by Inhibitors at the Molecular Level: Epigallocatechin Gallate and Scyllo-inositol. Journal of the American Chemical Society. 135:16926–16937.

Artyukhin S, Delaney KT, Spaldin NA, Mostovoy M. 2013. Landau theory of topological defects in multiferroic hexagonal manganites. Nature Materials.

Hoang K, Van de Walle CG. 2013. LiH as a Li+ and H- ion provider. Solid State Ionics. 253:53–56.

George NC, Pell AJ, Dantelle G, Page K, Llobet A, Balasubramanian M, Pintacuda G, Chmelka BF, Seshadri R. 2013. Local Environments of Dilute Activator Ions in the Solid-State Lighting Phosphor Y3–x Ce x Al5O12. Chemistry of Materials. 25:3979–3995.

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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.