Publications
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).
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2013. Conductivity and transparency of TiO2 from first principles. SPIE Solar Energy+ Technology.
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2013. High-productivity and high-performance analysis of filtered semantic graphs. Parallel & Distributed Processing (IPDPS), 2013 IEEE 27th International Symposium on.
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2013. The hole shrink problem: Theoretical studies of directed self-assembly in cylindrical confinement. SPIE Advanced Lithography.
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2013. Load balancing for partition-based similarity search. Proceedings of the 37th international ACM SIGIR conference on Research & development in information retrieval.
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2014. 2004 Mw 6.0 Parkfield, California, earthquake: Inversion of Near-Source Ground Motion Using Different Datasets. Geophysical Research Letters. 32:L23312.
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2005. [3, 3]-Sigmatropic Rearrangement versus Carbene Formation in Gold-Catalyzed Transformations of Alkynyl Aryl Sulfoxides: Mechanistic Studies and Expanded Reaction Scope. Journal of the American Chemical Society. 135:8512–8524.
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2013. Absolute surface energies of polar and nonpolar planes of GaN. Phys. Rev. B. 89:081305.
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2014. Accuracy of topological entanglement entropy on finite cylinders. Physical Review Letters. 111:107205.
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2013. Advances in electronic structure methods for defects and impurities in solids. Phys. Status Solidi B. 248:19.
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2011. Aggregation of polyalanine in a hydrophobic environment. J Chem Phys.. 124(13):134904.
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2006. Alternative sources of p-type conduction in acceptor-doped ZnO. Appl. Phys. Lett.. 97:72112.
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2010. Ambipolar doping in SnO. Applied Physics Letters. 103:082118.
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2013. Amyloid-beta-Protein: Experiment and Theory on the 21-30 Fragment. Phys. Chem. B. 113:6041.
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2009. Asymmetric Gold-Catalyzed Lactonizations in Water at Room Temperature. Angewandte Chemie International Edition. 53:10658–10662.
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2014. Atomic and electronic structure of hydrogen-related centers in hydrogen storage materials. Physica B. Physics of Condensed Matter
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2008. Atomic and electronic structure of hydrogen-related centers in hydrogen storage materials. Physica B: Condensed Matter. 404(5-7):793.
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2009. Atomic Scale Resolution for Stochastic Simulations of Electrodeposition at the Micrometer Scale. Journal of ECS. (in press)
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2013. Auger Recombination in GaAs from First Principles. ACS Photonics. 1:643–646.
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2014. Band alignment at band-insulator/Mott-insulator interfaces. physica status solidi (RRL)-Rapid Research Letters.
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2014. Band alignments and polarization properties of BN polymorphs. Applied Physics Express. 7:031001.
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2014. Band bowing and band alignment in InGaN alloys. Appl. Phys. Lett.. 96:21908.
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2010. Band parameters and strain effects in ZnO and group-III nitrides. Semicond. Sci. Technol.. 26:14037.
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2011. Block Copolymer Self Assembly during Rapid Solvent Evaporation: Insights into Cylinder Growth and Stability. ACS Macro Letters. 3:16–20.
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2013.