Publications
Found 24 results
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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. Effects of solvent on the structure of the Alzheimer amyloid-b(25-35) peptide. Biophys. J.. 91:1638.
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2006. 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. Point defects in Al2O3 and their impact on gate stacks. Microelectronic Engineering. 86:1756.
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2009. Intrinsic and extrinsic causes of electron accumulation layers on InAs surfaces. Appl. Phys. Lett.. 97:192106.
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2010. Dangling bonds and vacancies in germanium. Phys. Rev. B. 87(3):35203.
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2013. Native defects in Al2O3 and their impact on III-V/Al2O3 metal-oxide-semiconductor-based devices. Journal of Applied Physics. 109(3):33715.
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2011. Defects in SiC for quantum computing. J. Appl. Phys.. 109:102417.
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2011. Dangling-bond defects and hydrogen passivation in germanium. Appl. Phys. Lett.. 91:142101.
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2007. Point defects in Al2O3 and their impact on gate stacks. Microelectronic Engineering. 86:1756.
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2009. Quantum Computing with Defects. Proc. Natl. Acad. Sci.. 107:8513.
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2010. Determining Biomembrane Bending Rigidities from Simulations of Modest Size. Phys. Rev. Lett. 109:28102.
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2012. Thermal fluctuations in shape, thickness, and molecular orientation in lipid bilayers. II. Finite surface tensions. The Journal of chemical physics. 139:084706.
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2013. Dynamic implicit-solvent coarse-grained models of lipid bilayer membranes: Fluctuating hydrodynamics thermostat. Physical Review E. 88:023301.
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2014. Competing orders in the 2D half-filled SU (2N) Hubbard model through the pinning field quantum Monte-Carlo simulations. arXiv preprint arXiv:1305.3571.
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2013. Gold-Catalyzed Cyclizations of cis-Enediynes: Insights into the Nature of Gold–Aryne Interactions. Angewandte Chemie. 125:7949–7953.
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2013. Fluctuating hydrodynamic methods for fluid-structure interactions in confined channel geometries. submitted)(available: http://www. atzberger. org).
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2013. Topological Phase Transition in the Hofstadter-Hubbard Model. arXiv preprint arXiv:1402.6704.
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2014.