Publications

2013
Bleiholder C, Dupuis NF, Bowers MThomas.  2013.  Dimerization of Chirally Mutated Enkephalin Neurotransmitters: Implications for Peptide and Protein Aggregation Mechanisms. The Journal of Physical Chemistry B. 117:1770.
Larini L, Shea J-E.  2013.  Double Resolution Model for Studying TMAO/Water Effective Interactions. The Journal of Physical Chemistry B. 117:13268–13277.
Janotti A, Franchini C, Varley JB, Kresse G, Van de Walle CG.  2013.  Dual behavior of excess electrons in rutile TiO2. physica status solidi (RRL)-Rapid Research Letters. doi: 10.1002/pssr.201206464
Wang Y, Sigurdsson JKarl, Brandt E, Atzberger PJ.  2013.  Dynamic implicit-solvent coarse-grained models of lipid bilayer membranes: Fluctuating hydrodynamics thermostat. Physical Review E. 88:023301.
Eisenmenger ND, Su GM, Welch GC, Takacs CJ, Bazan GC, Kramera EJ, Chabinyc ML.  2013.  Effect of bridging atom identity on the morphological behavior of solution-processed small molecule bulk heterojunction photovoltaics. Chem. Mater.. (in press)
Do TD, LaPointe NE, Economou NJ, Buratto SK, Feinstein SC, Shea J-E, Bowers MT.  2013.  Effects of pH and Charge State on Peptide Assembly: the YVIFL Model System. Journal of Physical Chemistry B. 117(13):10768.
Dreyer C.E, Janotti A., Van de Walle C.G.  2013.  Effects of strain on the electron effective mass in GaN and AlN. Appl. Phys. Lett.. 102:142105.
Miao M.S, Yan Q.M, Van de Walle C.G..  2013.  Electronic structure of a single-layer InN quantum well in a GaN matrix. Appl. Phys. Lett.. 102:102103.
Kioupakis E., Rinke P., Janotti A., Yan Q., Van de Walle C.G..  2013.  Energy Conversion: Solid-State Lighting. Energy Conversion: Solid-State Lighting, in Computational Approaches to Energy Materials (eds A. Walsh, A. A. Sokol and C. R. A. Catlow).
Sun XY, Li B, Metiu H.  2013.  Ethane Activation by Nb-Doped NiO. The Journal of Physical Chemistry C. 117:23597–23608.
Speiser DI, Lampe RI, Lovdahl VR, Carrillo-Zazueta B, Rivera AS, Oakley TH.  2013.  Evasion of Predators Contributes to the Maintenance of Male Eyes in Sexually Dimorphic Euphilomedes ostracods (Crustacea). Integrative and Comparative Biology. (in press)
Schultz D, Gardner K, Oemrawsingh SSR, sević NMarke\v, Olsson K, Debord M, Bouwmeester D, Gwinn E.  2013.  Evidence for Rod-Shaped DNA-Stabilized Silver Nanocluster Emitters. Advanced Materials. in press
Dickinson BC, Leconte AM, Allen B, Esvelt KM, Liu DR.  2013.  Experimental interrogation of the path dependence and stochasticity of protein evolution using phage-assisted continuous evolution. Proceedings of the National Academy of Sciences. 110:9007–9012.
Wang Y, Atzberger P.  2013.  Fluctuating hydrodynamic methods for fluid-structure interactions in confined channel geometries. submitted)(available: http://www. atzberger. org).
Brandt EG.  2013.  Fluctuating hydrodynamics simulations of coarse-grained lipid membranes under steady-state conditions and in shear flow. Physical Review E. 88:012714.
Ratcliff EL, II RCBakus, Welch GC, van der Poll TS, Garcia A, Cowan SR, MacLeod BA, Ginley DS, Bazan GC, Olson DC.  2013.  Formation of interfacial traps upon surface protonation in small molecule solution processed bulk heterojunctions probed by photoelectron spectroscopy. Journal of Materials Chemistry C. 1:6223–6234.
Alexandrou MA, Swartz BA, Matzke NJ, Oakley TH.  2013.  Genome duplication and multiple evolutionary origins of complex migratory behavior in Salmonidae. Molecular phylogenetics and evolution. 69:514–523.
Wang Y, Yepremyan A, Ghorai S, Todd R, Aue DH, Zhang L.  2013.  Gold-Catalyzed Cyclizations of cis-Enediynes: Insights into the Nature of Gold–Aryne Interactions. Angewandte Chemie. 125:7949–7953.
Chen R., Ju H., Jiang H.C, Starykh O.A, Balents L..  2013.  Ground states of spin-1/2 triangular antiferromagnets in a magnetic field. Phys. Rev. B. (in press)
Buluc A, Duriakova E, Fox A, Gilbert JR, Kamil S, Lugowski A, Oliker L, Williams S.  2013.  High-productivity and high-performance analysis of filtered semantic graphs. Parallel & Distributed Processing (IPDPS), 2013 IEEE 27th International Symposium on.
Laachi N, Delaney KT, Kim B, Hur S-M, Bristol R, Shykind D, Weinheimer CJ, Fredrickson GH.  2013.  The hole shrink problem: Theoretical studies of directed self-assembly in cylindrical confinement. SPIE Advanced Lithography.
Sigurdsson J.K., Brown F.L.H., Atzberger P.J..  2013.  Hybrid Continuum-Particle Method for Fluctuating Lipid Bilayer Membranes with Diffusing Protein Inclusions. J. of Comp. Phys.. 252:65.
Choi M, Lyons JL, Janotti A, Van de Walle CG.  2013.  Impact of carbon and nitrogen impurities in high-k dielectrics on metal-oxide-semiconductor devices. Appl. Phys. Lett. 102:142902.
Lyons JL, Janotti A, Van de Walle CG.  2013.  Impact of Group-II Acceptors on the Electrical and Optical Properties of GaN. J. Appl. Phys.. 52:08JJ04.
Choi M, Lyons JL, Janotti A, Van de Walle CG.  2013.  Impact of native defects in high-k dielectric oxides on GaN/oxide metal–oxide–semiconductor devices. physica status solidi (b). 250:787–791.

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