Publications
How water layers on graphene affect folding and adsorption of TrpZip2. The Journal of Chemical Physics. 141:22D511.
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2014. Hybrid Continuum-Particle Method for Fluctuating Lipid Bilayer Membranes with Diffusing Protein Inclusions. J. of Comp. Phys.. 252:65.
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2013. Hybrid functional calculations of D X centers in AlN and GaN. Physical Review B. 89:085204.
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2014. Hybrid functional calculations of point defects and hydrogen in SrZrO 3. Physical Review B. 89:184109.
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2014. Hybrid functional electronic structure of PbPdO2, a small-gap semiconductor. J. Phys.: Condens. Matte. 23:465501.
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2011. Hybrid functional studies of the oxygen vacancy in TiO2. Phys. Rev. B. 81:85212.
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2010. A hybrid MD-kMC algorithm for folding proteins in explicit solvent. Physical Chemistry Chemical Physics.
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2014. Hydrogen donors in SnO2 studied by infrared spectroscopy and first-principles calculations. Phys. Rev. B. 82:193201.
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2010. Hydrogen interactions with acceptor impurities in SnO2: First-principles calculations. Phys. Rev. B. 79:245206.
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2009. Hydrogen interactions with acceptor impurities in SnO2: First-principles calculations. Phys. Rev. B. 79:245206.
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2009. Hydrogen multicenter bonds. Nature Materials. 6:44-47.
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2007. Hydrogenated cation vacancies in semiconducting oxides. J. Phys.: Condens. Matter. 23:334212.
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2011. Hydrogenated vacancies and hidden hydrogen in SrTiO 3. Physical Review B. 89:075202.
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2014. Hydrogen-related defects and the role of metal additives in the kinetics of complex hydrides: A first-principles study. Phys. Rev. B. 80:214109.
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2009. Hydrogen-related defects in sodium alanate. Journal of Alloys and Compounds. Proceedings of the International Symposium on Metal-Hydrogen Systems, Fundamentals and Applications (MH2006):446-447,459-461.
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2007. Impact of carbon and nitrogen impurities in high-k dielectrics on metal-oxide-semiconductor devices. Appl. Phys. Lett. 102:142902.
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2013. Impact of Group-II Acceptors on the Electrical and Optical Properties of GaN. J. Appl. Phys.. 52:08JJ04.
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2013. Impact of native defects in high-k dielectric oxides on GaN/oxide metal–oxide–semiconductor devices. physica status solidi (b). 250:787–791.
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2013. Impact of particle size ratio and volume fraction on effective material parameters and performance in solid oxide fuel cells.. Journal of Power Sources. 215:199-215.
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2012. 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.
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2013. Implications of Shakedown for Design of Actively Cooled Thermostructural Panels. Journal of Mechanics of Materials and Structures. 6:1313.
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2011. Improved models for cosmic infrared background anisotropies: new constraints on the infrared galaxy population. Monthly Notices of the Royal Astronomical Society. 421:2832-2845.
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2012. Indirect Auger recombination as a cause of efficiency droop in nitride LEDs. Appl. Phys. Lett.. 98:161107.
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2011. The influence of different treatments of electrostatic interactions on the thermodynamics of folding of peptides. J. Phys. Chem. B. 109:21322.
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2005. Initiation of Assembly of Tau(273-284) and its DK280 Mutant: An Experimental and Computational Study. Phys. Chem. Chem. Phys.. 15:8916-8928.
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2013.