Publications

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Weston L, Wickramaratne D, Van de Walle CG.  2017.  Hole polarons and p-type doping in boron nitride polymorphs. Physical Review B. 96:100102.
Weston L., Wikramaratne D., Alkauskas A., Van de Walle C.G.  2018.  Native point defects and impurities in hexagonal boron nitride. Physical Review B. (97):1-13.
Weston L, Tailor H, Krishnaswamy K, Bjaalie L, Van de Walle CG.  2018.  Accurate and efficient band-offset calculations from density functional theory. Computational Materials Science. 151:174–180.
Weston L, Janotti A, Cui XY, Stampfl C, Van de Walle CG.  2017.  Acceptor doping in the proton conductor SrZrO 3. Physical Chemistry Chemical Physics. 19:11485–11491.
Weston L, Janotti A, Cui XY, Stampfl C, Van de Walle CG.  2014.  Hybrid functional calculations of point defects and hydrogen in SrZrO 3. Physical Review B. 89:184109.
Welch GC, Bakus RCharles, Teat SJ, Bazan GC.  2013.  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.
Wei G., Shea J.-E.  2006.  Effects of solvent on the structure of the Alzheimer amyloid-b(25-35) peptide. Biophys. J.. 91:1638.
Wei G, Jewett AI, Shea J-E.  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.
Weber J.R, Janotti A., Van de Walle C.G.  2013.  Dangling bonds and vacancies in germanium. Phys. Rev. B. 87(3):35203.
Weber J.R., Koehl W.F., Varley J.B., Janotti A., Buckley B.B., Van de Walle C.G., Awschalom D.D..  2010.  Quantum Computing with Defects. Proc. Natl. Acad. Sci.. 107:8513.
Weber J.R., Janotti A., Van de Walle C.G..  2009.  Point defects in Al2O3 and their impact on gate stacks. Microelectronic Engineering. 86:1756.
Weber J.R., Janotti A., Van de Walle C.G..  2009.  Point defects in Al2O3 and their impact on gate stacks. Microelectronic Engineering. 86:1756.
Weber J.R, Janotti A., Van de Walle C.G.  2011.  Native defects in Al2O3 and their impact on III-V/Al2O3 metal-oxide-semiconductor-based devices. Journal of Applied Physics. 109(3):33715.
Weber J.R, Janotti A., Rinke P., Van de Walle C.G.  2007.  Dangling-bond defects and hydrogen passivation in germanium. Appl. Phys. Lett.. 91:142101.
Weber J.R, Janotti A., Van de Walle C.G.  2010.  Intrinsic and extrinsic causes of electron accumulation layers on InAs surfaces. Appl. Phys. Lett.. 97:192106.
Weber J.R, Koehl W.F, Varley J.B, Janotti A., Bucley B.B, Van de Walle C.G., Awschalom D.D.  2011.  Defects in SiC for quantum computing. J. Appl. Phys.. 109:102417.
Watson MC, Brandt EG, Welch PM, Brown FLH.  2012.  Determining Biomembrane Bending Rigidities from Simulations of Modest Size. Phys. Rev. Lett. 109:28102.
Watson MC, Morriss-Andrews A, Welch PM, Brown FLH.  2013.  Thermal fluctuations in shape, thickness, and molecular orientation in lipid bilayers. II. Finite surface tensions. The Journal of chemical physics. 139:084706.
Wang W, Peelaers H, Shen J-X, Janotti A, Van de Walle CG.  2018.  First-principles characterization of defects in WO 3. Oxide-based Materials and Devices IX.
Wang Y, Lei HUAN, Atzberger PJ.  2018.  Fluctuating hydrodynamic methods for fluid-structure interactions in confined channel geometries. Applied Mathematics and Mechanics. 39:125–152.
Wang X, Vallurupalli P, Vu A, Lee K, Sun S, Bai W-J, Wu C, Zhou H, Shea J-E, Kay LE et al..  2014.  The linker between the dimerization and catalytic domains of the CheA histidine kinase propagates changes in structure and dynamics that are important for enzymatic activity. Biochemistry. 53:855–861.
Wang Y, Atzberger P.  2013.  Fluctuating hydrodynamic methods for fluid-structure interactions in confined channel geometries. submitted)(available: http://www. atzberger. org).
Wang M, Ford MJ, Zhou C, Seifrid M, Nguyen T-Q, Bazan GC.  2017.  Linear Conjugated Polymer Backbones Improve Alignment in Nanogroove-Assisted Organic Field-Effect Transistors. Journal of the American Chemical Society. 139:17624–17631.
Wang W, Peelaers H, Shen J-X, Janotti A, Van de Walle CG.  2018.  Impact of point defects on electrochromism in WO 3. Oxide-based Materials and Devices IX.
Wang W, Peelaers H, Shen J-X, Van de Walle C.G.  2018.  Carrier-induced absorption as a mechanism for electrochromism in tungsten trioxide. MRS Communications. :1-6.

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