Publications

Journal Article
Wang L, Hung H-H, Troyer M.  2014.  Topological Phase Transition in the Hofstadter-Hubbard Model. arXiv preprint arXiv:1402.6704.
Panagiotou E, Millett K, Atzberger PJ.  2018.  Topological Methods for Polymeric Materials: Characterizing the.
Kim Y, Hankiewicz EM, Gilbert MJ.  2012.  Topological Excitonic Superfluids in Three Dimensions. Physical review B. 86:184504.
Gilmore SP, Lankiewicz TS, Wilken SElmo, Brown JL, Sexton JA, Henske JK, Theodorou MK, Valentine DL, O'Malley MA.  2019.  Top-down Enrichment Guides in Formation of Synthetic Microbial Consortia for Biomass Degradation. ACS synthetic biology.
Zerze GH, Mullen RGotchy, Levine ZA, Shea J-E, Mittal J.  2015.  To what extent does surface hydrophobicity dictate peptide folding and stability near surfaces? Langmuir. 31(44):12223–12230.
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.
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.
Oliveira RM, Meiburg E.  2013.  Three-Dimensional Vorticity Configurations in Miscible Hele-Shaw Displacements. Procedia IUTAM. 7:203–212.
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.
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.
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.
Lewi T, Butakov NA, Schuller JA.  2018.   Thermal tuning capabilities of semiconductor metasurface resonators. arXiv. Optics:1-18.
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.
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.
Delaney KT, Fredrickson GH.  2017.  Theory of polyelectrolyte complexation—Complex coacervates are self-coacervates. The Journal of Chemical Physics. 146:224902.
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.
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.
Panagiotou E, Delaney KT, Fredrickson GH.  2019.  Theoretical prediction of an isotropic to nematic phase transition in bottlebrush homopolymer melts. The Journal of Chemical Physics. 151:094901.
Umezawa N, Shiraishi K.  2012.  Theoretical model for artificial structure modulation of HfO2/SiOx/Si interface by deposition of a dopant material. Applied Physics Letters. 100(9):092904.
Decolvenaere E, Gordon MJ, Van der Ven A.  2015.  Testing predictions from density functional theory at finite temperatures: $\beta$ 2-like ground states in Co-Pt. Physical Review B. 92:085119.
Chavoshi SZare, Xu S.  2018.  Tension-compression asymmetry in plasticity of nanotwinned 3C-SiC nanocrystals. Journal of Applied Physics. 124:095103.
Mostovoy M, Scaramucci A, Spaldin NA, Delaney KT.  2010.  Temperature-Dependent Magnetoelectric Effect from First Principles. Phys. Rev. Lett.. 105:87202.
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.
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.
Ganguly P, Do TD, Larini L, LaPointe NE, Sercel AJ, Shade MF, Feinstein SC, Bowers MT, Shea J-E.  2015.  Tau Assembly: The Dominant Role of PHF6 (VQIVYK) in Microtubule Binding Region Repeat R3. The Journal of Physical Chemistry B. 119:4582–4593.

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