Publications
Probing the structural hierarchy and energy landscape of an RNA T-loop hairpin. Nucleic Acids Res. 35:6995-7002.
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2007. The effect of surface tethering on the folding of the src-SH3 protein domain. Phys. Biol.. 6:15004.
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2009. Strong correlation induced charge localization in antiferromagnets. arXiv preprint. arXiv:1212.6634
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2012. Striking Effect of Intra-versus Intermolecular Hydrogen Bonding on Zwitterions: Physical and Electronic Properties. Journal of the American Chemical Society.
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2014. Magnetism and local structure in low-dimensional Mott insulating GdTiO 3. Physical Review B. 88:121104.
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2013. Symmetry lowering in extreme-electron-density perovskite quantum wells. Physical review letters. 110:256401.
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2013. Cytoskeleton mediated effective elastic properties of model red blood cell membranes. J. Chem. Phys.. 129:65101.
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2008. Oxidative Dehydrogenation of Methane by Isolated Vanadium Oxide Clusters Supported on Au (111) and Ag (111) Surfaces. The Journal of Physical Chemistry C. 117:18475–18483.
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2013. Role of strain in polarization switching in semipolar InGaN/GaN quantum wells. Appl. Phys. Lett.. 97:181102.
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2010. Origins of optical absorption and emission lines in AlN. Applied Physics Letters. 105:111104.
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2014. Band parameters and strain effects in ZnO and group-III nitrides. Semicond. Sci. Technol.. 26:14037.
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2011. Strain effects and band parameters in MgO, ZnO, and CdO. Appl. Phys. Lett.. 101:152105.
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2012. Role of nitrogen vacancies in the luminescence of Mg-doped GaN. Applied Physics Letters. 100:142110.
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2012. First-principles study of high-field-related electronic behavior of group-III nitrides. Physical Review B. 90:121201.
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2014. Strain effects in group-III nitrides: Deformation potentials for AlN, GaN, and InN. Appl. Phys. Lett.. 95:121111.
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2009. Strain effects in group-III nitrides: Deformation potentials for AlN, GaN, and InN. Appl. Phys. Lett.. 95:121111.
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2009. Structural Similarities and Differences between Amyloidogenic and Non-Amyloidogenic Islet Amyloid Polypeptide (IAPP) Sequences and Implications for the Dual Physiological and Pathological Activities of These Peptides. PLoS computational biology. 9:e1003211.
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2013. Charge carrier mobility in a two-phase disordered organic system in the low-carrier concentration regime. Physical Review B. 88:125311.
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2013. First-principles study of the formation and migration of native defects in NaAlH4. Phys. Rev. B. 80:224102.
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2009. First-principles investigations of F and Cl impurities in NaAlH4. Journal of Alloys and Compounds. 484:247.
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2009. Hybrid functional calculations of point defects and hydrogen in SrZrO 3. Physical Review B. 89:184109.
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2014. 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. Structural diversity of dimers of the Alzheimer amyloid-β(25–35) peptide and polymorphism of the resulting fibrils. Phys. Chem. Chem. Phys. 12:3622.
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2010. Effects of solvent on the structure of the Alzheimer amyloid-b(25-35) peptide. Biophys. J.. 91:1638.
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2006. Point defects in Al2O3 and their impact on gate stacks. Microelectronic Engineering. 86:1756.
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