Publications

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Kristoffersen HH, Metiu H.  2016.  Structure of V2O5· n H2O Xerogels. The Journal of Physical Chemistry C. 120:3986–3992.
Guide M, Pla S, Sharenko A, Zalar P, Fernández-Lázaro F, Sastre-Santos A, Nguyen T‐Q.  2013.  A structure-property-performance investigation of perylenediimides as electron accepting materials in organic solar cells.. Physical Chemistry Chemical Physics. 15:18894–18899.
Peelaers H, Van de Walle CG.  2017.  Sub-band-gap absorption in Ga2O3. Applied Physics Letters. 111:182104.
Kim T, Delaney J.  2013.  Subspace Fluid Re-Simulation. Proceedings of ACM SIGGRAPH. (in press)
Henske JK, Springer SD, O'Malley MA, Butler A.  2018.  Substrate-based differential expression analysis reveals control of biomass degrading enzymes in Pycnoporus cinnabarinus. Biochemical Engineering Journal. 130:83–89.
Garcia ES, Tague CL.  2015.  Subsurface storage capacity influences climate–evapotranspiration interactions in three western United States catchments. Hydrology and Earth System Sciences. 19:4845–4858.
Gordon L, Varley JB, Lyons JL, Janotti A, Van de Walle CG.  2015.  Sulfur doping of AlN and AlGaN for improved n-type conductivity. physica status solidi (RRL)-Rapid Research Letters. 9:462–465.
Delaney K.T, Mostovoy M., Spaldin N.A.  2009.  Superexchange-Driven Magnetoelectricity in Magnetic Vortices. Phys. Rev. Lett.. 102:157203.
Carpenter CL, Delaney KT, Fredrickson GH.  2017.  Suppression of thermal fluctuation placement errors in linear arrays of block copolymer cylinders. Advances in Patterning Materials and Processes XXXIV.
Levine ZA, Rapp MV, Wei W, Mullen RGotchy, Wu C, Zerze GH, Mittal J, J Waite H, Israelachvili JN, Shea J-E.  2016.  Surface force measurements and simulations of mussel-derived peptide adhesives on wet organic surfaces. Proceedings of the National Academy of Sciences. :201603065.
Lyons JL, Van de Walle CG.  2016.  Surprising stability of neutral interstitial hydrogen in diamond and cubic BN. Journal of Physics: Condensed Matter. 28:06LT01.
Butakov NA, Valmianski I, Lewi T, Urban C, Ren Z, Mikhailovsky AA, Wilson SD, Schuller IK, Schuller JA.  2017.  Switchable Plasmonic–Dielectric Resonators with Metal–Insulator Transitions. ACS Photonics.
Zhang JY, Hwang J, Raghavan S, Stemmer S.  2013.  Symmetry lowering in extreme-electron-density perovskite quantum wells. Physical review letters. 110:256401.
McDearmon B, Lim E, O'Hara K, Nakayama H, Luo Y, Chabinyc ML, Hawker CJ.  2017.  Synthesis of a versatile pentacyclic building block for organic electronics. Journal of Polymer Science Part A: Polymer Chemistry. 55:2618–2628.
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Frumkin JA, Doherty MF.  2018.  Target bounds on reaction selectivity via Feinberg's CFSTR equivalence principle. AIChE Journal. 64:926–939.
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.
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.
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.
Mostovoy M, Scaramucci A, Spaldin NA, Delaney KT.  2010.  Temperature-Dependent Magnetoelectric Effect from First Principles. Phys. Rev. Lett.. 105:87202.
Chavoshi SZare, Xu S.  2018.  Tension-compression asymmetry in plasticity of nanotwinned 3C-SiC nanocrystals. Journal of Applied Physics. 124:095103.
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.
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.
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.
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, Fredrickson GH.  2017.  Theory of polyelectrolyte complexation—Complex coacervates are self-coacervates. The Journal of Chemical Physics. 146:224902.

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