Publications
Oxygen vacancies and donor impurities in beta-Ga2O3. Appl. Phys. Lett.. 97:142106.
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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. Mechanism of Visible-Light Photocatalysis in Nitrogen-Doped TiO2. Advanced Materials. 23:2343-2347.
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2011. Hydrogenated vacancies and hidden hydrogen in SrTiO 3. Physical Review B. 89:075202.
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2014. Implications of Shakedown for Design of Actively Cooled Thermostructural Panels. Journal of Mechanics of Materials and Structures. 6:1313.
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2011. Linear Scaling Self-Consistent Field Theory with Spectral Contour Accuracy. ACS Macro Letters. 8:1402–1406.
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2019. Efficient field-theoretic simulation of polymer solutions. The Journal of chemical physics. 141:224115.
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2014. Stacking-sequence changes and Na ordering in layered intercalation materials. Chemistry of Materials. 28:8640–8650.
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2016. Stochastic vertex corrections: linear scaling methods for accurate quasiparticle energies. Journal of chemical theory and computation. 15:6254–6266.
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2019. 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. Role of oxygen vacancies in crystalline WO 3. Journal of Materials Chemistry C.
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2016. Phase transformations upon doping in WO3. The Journal of Chemical Physics. 146:214504.
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2017. Dynamic implicit-solvent coarse-grained models of lipid bilayer membranes: Fluctuating hydrodynamics thermostat. Physical Review E. 88:023301.
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2013. First-principles characterization of defects in WO 3. Oxide-based Materials and Devices IX.
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2018. Fluctuating hydrodynamic methods for fluid-structure interactions in confined channel geometries. Applied Mathematics and Mechanics. 39:125–152.
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2018. Multiplicity of dislocation pathways in a refractory multiprincipal element alloy. Science. 370:95–101.
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2020. 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. Linear Conjugated Polymer Backbones Improve Alignment in Nanogroove-Assisted Organic Field-Effect Transistors. Journal of the American Chemical Society. 139:17624–17631.
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2017. Impact of point defects on electrochromism in WO 3. Oxide-based Materials and Devices IX.
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2018. Carrier-induced absorption as a mechanism for electrochromism in tungsten trioxide. MRS Communications. :1-6.
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2018. Electron backscattered diffraction using a new monolithic direct detector: High resolution and fast acquisition. Ultramicroscopy. :113160.
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2020. Hole Mobility and Electron Injection Properties of D-A Conjugated Copolymers with Fluorinated Phenylene Acceptor Units. Advanced Materials. 29
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2017. 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.
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2014. Fluctuating hydrodynamic methods for fluid-structure interactions in confined channel geometries. submitted)(available: http://www. atzberger. org).
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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.