Publications

Export 645 results:
2014
Shea J-E, Peter EKarl.  2014.  A hybrid MD-kMC algorithm for folding proteins in explicit solvent. Physical Chemistry Chemical Physics.
Keh MP, Walter J, Leal LG.  2014.  Hydrodynamic interaction between a capsule and a solid boundary in unbounded Stokes flow. Physics of Fluids (1994-present). 26:111903.
Gordon L, Abu-Farsakh H, Janotti A, Van de Walle CG.  2014.  Hydrogen bonds in Al2O3 as dissipative two-level systems in superconducting qubits. Scientific reports. 4
Choi M, Janotti A, Van de Walle CG.  2014.  Hydrogen Passivation of Impurities in Al2O3. ACS applied materials & interfaces. 6:4149–4153.
Varley JB, Janotti A, Van de Walle CG.  2014.  Hydrogenated vacancies and hidden hydrogen in SrTiO 3. Physical Review B. 89:075202.
MacFarlane RJ, Kim BJ, Lee B, Weitekamp RA, Bates CM, Lee SFung, Chang AB, Delaney KT, Fredrickson GH, Atwater HA et al..  2014.  Improving Brush Polymer Infrared One-Dimensional Photonic Crystals via Linear Polymer Additives.. Journal of the American Chemical Society. 136(50):17374–17377.
Do TD, Economou NJ, Chamas A, Buratto SK, Shea J-E, Bowers MT.  2014.  Interactions between Amyloid-$\beta$ and Tau Fragments Promote Aberrant Aggregates: Implications for Amyloid Toxicity. The Journal of Physical Chemistry B. 118:11220–11230.
Himmetoglu B, Janotti A, Bjaalie L, Van de Walle CG.  2014.  Interband and polaronic excitations in YTiO 3 from first principles. Physical Review B. 90:161102.
Singh N, Upham DC, Liu R-F, Burk JJames, Economou NJohn, Buratto SK, Metiu H, McFarland EW.  2014.  Investigation of the active sites of rhodium sulfide for hydrogen evolution/oxidation using carbon monoxide as a probe. Langmuir.
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.
Su GM, Pho TV, Eisenmenger ND, Wang C, Wudl F, Kramer EJ, Chabinyc ML.  2014.  Linking morphology and performance of organic solar cells based on decacyclene triimide acceptors. Journal of Materials Chemistry A. 2:1781–1789.
Tang X, Alabduljalil M, Jin X, Yang T.  2014.  Load balancing for partition-based similarity search. Proceedings of the 37th international ACM SIGIR conference on Research & development in information retrieval.
Brgoch J, Gaultois MW, Balasubramanian M, Page K, Hong B-C, Seshadri R.  2014.  Local structure and structural rigidity of the green phosphor $\beta$-SiAlON: Eu2+. Applied Physics Letters. 105:181904.
Ishizuka H, Balents L.  2014.  Magnetism in S= 1/2 double perovskites with strong spin-orbit interactions. Physical Review B. 90:184422.
Takacs CJ, Collins SD, Love JA, Mikhailovsky AA, Wynands D, Bazan GC, Nguyen T-Q, Heeger AJ.  2014.  Mapping Orientational Order in a Bulk Heterojunction Solar Cell with Polarization-Dependent Photoconductive Atomic Force Microscopy. ACS nano. 8:8141–8151.
Rajan VP, Zok FW.  2014.  Matrix cracking of fiber-reinforced ceramic composites in shear. Journal of the Mechanics and Physics of Solids.
Cochran JE, Junk MJN, Glaudell AM, P Miller L, Cowart JS, Toney MF, Hawker CJ, Chmelka BF, Chabinyc ML.  2014.  Molecular Interactions and Ordering in Electrically Doped Polymers: Blends of PBTTT and F4TCNQ. Macromolecules. 47:6836–6846.
Düchs D, Delaney KT, Fredrickson GH.  2014.  A Multi-Species Exchange Model for Fully Fluctuating Polymer Field Theory Simulations. Journal of Chemical Physics. 141(17):174103.
Douglas JE, Chater PA, Brown CM, Pollock TM, Seshadri R.  2014.  Nanoscale structural heterogeneity in Ni-rich half-Heusler TiNiSn. Journal of Applied Physics. 116:163514.
Agarwal V, Peters B.  2014.  Nucleation near the eutectic point in a Potts-lattice gas model. The Journal of Chemical Physics. 140:084111.
Bezzola A, Bales BB, Petzold LR, Alkire RC.  2014.  Numerical Scaling Studies of Kinetically-Limited Electrochemical Nucleation and Growth with Accelerated Stochastic Simulations. Journal of The Electrochemical Society. 161:E3001–E3008.
Sela E, Jiang H-C, Gerlach MH, Trebst S.  2014.  Order-by-disorder and spin-orbital liquids in a distorted Heisenberg-Kitaev model. Physical Review B. 90:035113.
Mata M, García-Cervera CJ, Ceniceros HD.  2014.  Ordering kinetics of a conserved binary mixture with a nematic liquid crystal component. Journal of Non-Newtonian Fluid Mechanics. 212:18–27.
Yan Q, Janotti A, Scheffler M, Van de Walle CG.  2014.  Origins of optical absorption and emission lines in AlN. Applied Physics Letters. 105:111104.
Oakley TH, Alexandrou MA, Ngo R, M Pankey S, Churchill CK, Chen W, Lopker KB.  2014.  Osiris: accessible and reproducible phylogenetic and phylogenomic analyses within the Galaxy workflow management system. BMC bioinformatics. 15:230.

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