Publications
Hybrid functional studies of the oxygen vacancy in TiO2. Phys. Rev. B. 81:85212.
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2010. Hydrogen donors in SnO2 studied by infrared spectroscopy and first-principles calculations. Phys. Rev. B. 82:193201.
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2010. Intrinsic and extrinsic causes of electron accumulation layers on InAs surfaces. Appl. Phys. Lett.. 97:192106.
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2010. J dependence in the LSDA+U treatment of noncollinear magnets. Phys. Rev. B. 82:220402.
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2010. Microscopic theory of temperature-dependent magnetoelectric effect in Cr2O3. Phys. Rev. Lett.. 105:87202.
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2010. Origin of high solubility of silicon in La2O3: A first-principles study. Appl. Phys. Lett.. 97:202906.
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2010. Oxygen vacancies and donor impurities in beta-Ga2O3. Appl. Phys. Lett.. 97:142106.
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2010. Population resequencing reveals local adaptation of Arabidopsis lyrata to serpentine soils. Nature Genetics. 42:260-263.
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2010. The properties of small Ag clusters bound to DNA bases. J. Chem. Phys.. 132:195102.
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2010. Quantum Computing with Defects. Proc. Natl. Acad. Sci.. 107:8513.
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2010. Role of strain in polarization switching in semipolar InGaN/GaN quantum wells. Appl. Phys. Lett.. 97:181102.
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2010. Sequence periodicity and secondary structure propensity in model proteins. Protein Science. 19:141.
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2010. Strain-induced isosymmetric phase transition in BiFeO3. Phys. Rev. B. 81:54109.
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2010. 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. Structural phases of strained LaAlO3 driven by octahedral tilt instabilities. Phys. Rev. B. 82:195402.
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2010. Temperature-Dependent Magnetoelectric Effect from First Principles. Phys. Rev. Lett.. 105:87202.
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2010. Theoretical Study of Schottky-Barrier Formation at Epitaxial Rare-Earth-Metal/Semiconductor Interfaces. Phys. Rev. B. 81:165312.
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2010. Unexpectedly Large Electronic Contribution to Linear Magnetoelectricity. Phys. Rev. Lett.. 106:107202.
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2010. Unusual dielectric response in B-site size-disordered hexagonal transition-metal oxides. Appl. Phys. Lett.. 96:162903.
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2010. Amyloid-beta-Protein: Experiment and Theory on the 21-30 Fragment. Phys. Chem. B. 113:6041.
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2009. 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. Diversity of kinetic pathways in amyloid fibril formation. J. Chem. Phys.. 131:111102.
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2009. Effect of beta-sheet propensity on peptide aggregation.. J. Chem. Phys.. 130:145103.
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2009. The effect of surface tethering on the folding of the src-SH3 protein domain. Phys. Biol.. 6:15004.
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2009. Effects of barium incorporation into HfO2 gate dielectrics on reduction in charged defects: First-principles study. Appl. Phys. Lett.. 94:22903.
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2009.