Publications

Export 605 results:
2014
Morriss-Andrews A, Shea J-E.  2014.  Simulations of Protein Aggregation: Insights from Atomistic and Coarse-Grained Models. The Journal of Physical Chemistry Letters.
Zheng Y, Miao M-S, Zhang Y, Nguyen T-Q, Wudl F.  2014.  Striking Effect of Intra-versus Intermolecular Hydrogen Bonding on Zwitterions: Physical and Electronic Properties. Journal of the American Chemical Society.
Krishnaswamy K, Dreyer CE, Janotti A, Van de Walle CG.  2014.  Structure and energetics of LaAlO 3 (001) surfaces. Physical Review B. 90:235436.
Kim BJ, Laachi N, Delaney KT, Carilli MF, Kramer EJ, Fredrickson GH.  2014.  Thermodynamic and kinetic aspects of defectivity in directed self-assembly of cylinder-forming diblock copolymers in laterally confining thin channels. Journal of Applied Polymer Science. 131(24):40790.
Fu J, Wu S, Li H, Petzold LR.  2014.  The Time Dependent Propensity Function for Acceleration of Spatial Stochastic Simulation of Reaction-Diffusion Systems. Journal of Computational Physics.
Wang L, Hung H-H, Troyer M.  2014.  Topological Phase Transition in the Hofstadter-Hubbard Model. arXiv preprint arXiv:1402.6704.
Shaw JH, Rajan VP, Blacklock M, Zok FW.  2014.  Towards Virtual Testing of Textile Composites: Calibration of Thermoelastic Tow Properties. Journal of the American Ceramic Society. 97:1209–1217.
Mullen RGotchy, Shea J-E, Peters B.  2014.  Transmission coefficients, committors, and solvent coordinates in ion-pair dissociation. Journal of Chemical Theory and Computation.
Sun K, Chiu C-K, Hung H-H, Wu J.  2014.  Tuning between singlet, triplet, and mixed pairing states in an extended Hubbard chain. Phys. Rev. B. 89:104519.
Bjaalie L, Janotti A, Himmetoglu B, Van de Walle CG.  2014.  Turning SrTiO 3 into a Mott insulator. Physical Review B. 90:195117.
Bell S, B Jack K, Oliva P, Severen C, Walker E.  2014.  Uncertainty, self-selection and the design of subsidies: Evidence from Zambia.
Speiser DI, M Pankey S, Zaharoff AK, Battelle BA, Bracken-Grissom HD, Breinholt JW, Bybee SM, Cronin TW, Garm A, Lindgren AR et al..  2014.  Using phylogenetically-informed annotation (PIA) to search for light-interacting genes in transcriptomes from non-model organisms. BMC bioinformatics. 15:350.
Janotti A, Varley JB, Choi M, Van de Walle CG.  2014.  Vacancies and small polarons in SrTiO 3. Physical Review B. 90:085202.
2013
Lu B, Li Y, Wang Y, Aue DH, Luo Y, Zhang L.  2013.  [3, 3]-Sigmatropic Rearrangement versus Carbene Formation in Gold-Catalyzed Transformations of Alkynyl Aryl Sulfoxides: Mechanistic Studies and Expanded Reaction Scope. Journal of the American Chemical Society. 135:8512–8524.
Jiang H-C, Singh RRP, Balents L.  2013.  Accuracy of topological entanglement entropy on finite cylinders. Physical Review Letters. 111:107205.
Varley JB, Schleife A, Janotti A, Van de Walle CG.  2013.  Ambipolar doping in SnO. Applied Physics Letters. 103:082118.
Bezzola A., Bales B., Alkire R.C, Petzold L.R.  2013.  Atomic Scale Resolution for Stochastic Simulations of Electrodeposition at the Micrometer Scale. Journal of ECS. (in press)
Paradiso SP, Delaney KT, García-Cervera CJ, Ceniceros HD, Fredrickson GH.  2013.  Block Copolymer Self Assembly during Rapid Solvent Evaporation: Insights into Cylinder Growth and Stability. ACS Macro Letters. 3:16–20.
Alabduljalil M., Tang X., Yang T..  2013.  Cache-Conscious Performance Optimization for Similarity Search. SIGIR’2013 (Proc. of 36th ACM SIGIR conference on Research and Development in Information Retrieval). (in press)
Miao M-S.  2013.  Caesium in high oxidation states and as a p-block element. Nature chemistry. 5:846–852.
McFarland EW, Metiu H.  2013.  Catalysis by Doped Oxides. Chemical Reviews. in press
Woellner CF, Li Z, Freire JA, Lu G, Nguyen T-Q.  2013.  Charge carrier mobility in a two-phase disordered organic system in the low-carrier concentration regime. Physical Review B. 88:125311.
Jiang H-C, Balents L.  2013.  Collapsing Schr$\backslash$" odinger Cats in the Density Matrix Renormalization Group. arXiv preprint arXiv:1309.7438.
Turner TL, Miller PM, Cochrane VA.  2013.  Combining Genome-Wide Methods to Investigate the Genetic Complexity of Courtship Song Variation in Drosophila melanogaster. Molecular Biology and Evolution. 30:2113-2120.
Audus DJ, Delaney KT, Ceniceros HD, Fredrickson GH.  2013.  Comparison of Pseudospectral Algorithms for Field-Theoretic Simulations of Polymers. Macromolecules. 46:8383–8391.

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