Publications

Found 20 results
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2014
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.
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.
2013
Kioupakis E, Yan Q, Steiauf D, Van de Walle CG.  2013.  Temperature and carrier-density dependence of Auger and radiative recombination in nitride optoelectronic devices. New Journal of Physics. 15:125006.
Mishmash RV, Garrison JR, Bieri S, Xu C.  2013.  Theory of a competitive spin liquid state for kappa-(BEDT-TTF) 2Cu2 (CN) 3 and EtMe3Sb [Pd (dmit) 2] 2. arXiv preprint arXiv:1307.0829.
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.
Hwang J, Zhang JY, D’Alfonso AJ, Allen LJ, Stemmer S.  2013.  Three-Dimensional Imaging of Individual Dopant Atoms in SrTiO 3. Physical Review Letters. 111:266101.
Ivanovskaya A, Singh N, Liu R-F, Kreutzer H, Baltrusaitis J, Van Nguyen T, Metiu H, McFarland E.  2013.  Transition Metal Sulfide Hydrogen Evolution Catalysts for Hydrobromic Acid Electrolysis. Langmuir. 29:480.
Sun K, Chiu C-K, Hung H-H, Wu J.  2013.  Tuning between singlet, triplet and mixed pairing states in an extended Hubbard chain. arXiv preprint arXiv:1311.2033.
2012
Kim Y, Hankiewicz EM, Gilbert MJ.  2012.  Topological Excitonic Superfluids in Three Dimensions. Physical review B. 86:184504.
Miao M-S, Kurzman JA, Mammen N, Narasimhan S, Seshadri R.  2012.  Trends in the Electronic Structure of Extended Gold Compounds: Implications for Use of Gold in Heterogeneous Catalysis. Inorg. Chem.. 51:7569.
2011
Schleife A., Varley J.B, Fuchs F., Rödl C., Bechstedt F., Rinke P., Janotti A., Van de Walle C.G.  2011.  Tin dioxide from first principles: Quasiparticle electronic states and optical properties. Phys. Rev. B. 83:35116.
2010
Mostovoy M, Scaramucci A, Spaldin NA, Delaney KT.  2010.  Temperature-Dependent Magnetoelectric Effect from First Principles. Phys. Rev. Lett.. 105:87202.
Delaney KT, Spaldin NA, Van de Walle CG.  2010.  Theoretical Study of Schottky-Barrier Formation at Epitaxial Rare-Earth-Metal/Semiconductor Interfaces. Phys. Rev. B. 81:165312.
2006
Baumketner A., Shea J.-E..  2006.  The thermodynamics of folding of a beta hairpin peptide probed through replica exchange molecular dynamics simulations. Theor. Chem. Acc.. 116:262.
2005
Hammond M.R, Cochran E.W, Fredrickson G.H, Kramer E.J.  2005.  Temperature Dependence of Order, Disorder, and Defects in Laterally Con?ned Diblock Copolymer Cylinder Monolayers Macromolecules. 38(15):6575äóñ6585.
Hammond M.R, Cochran E.W, Fredrickson G.H, Kramer E.J.  2005.  Thermal equilibrium defects in laterally confined monolayers of block copolymer cylinders. Polymer Preprints (American Chemical Society, Division of Polymer Chemistry). 46(2):576äóñ577.