Publications

Journal Article
Van de Walle C.G, Segev D..  2007.  Microscopic origins of surface states on nitride surfaces. J. Appl. Phys.. 101:81704.
Mostovoy M, Scaramucci A, Spaldin NA, Delaney KT.  2010.  Microscopic theory of temperature-dependent magnetoelectric effect in Cr2O3. Phys. Rev. Lett.. 105:87202.
Levi AE, Lequieu J, Horne JD, Bates MW, Ren JM, Delaney KT, Fredrickson GH, Bates CM.  2019.  Miktoarm Stars via Grafting-Through Copolymerization: Self-Assembly and the Star-to-Bottlebrush Transition. Macromolecules.
Oliveira RM, Meiburg E.  2011.  Miscible displacements in Hele-Shaw cells: three-dimensional Navier–Stokes simulations. Journal of Fluid Mechanics. 687:431–460.
Levine ZA, Teranishi K, Okada AK, Langen R, Shea J-E.  2019.  The Mitochondrial Peptide Humanin Targets, but does not Denature Amyloid Oligomers in Type II Diabetes. Journal of the American Chemical Society.
Smith A., Mizoguchi H., Delaney KT, Spaldin N.A, Sleight A., Subramanian M.A.  2009.  Mn3+ in Trigonal Bipyramidal Coordination: a New Blue Chromophore. J. Am. Chem. Soc.. 131:17084-17086.
Suen JY, Fang MT, Denny SP, Lubin PM.  2015.  Modeling of Terabit Geostationary Terahertz Satellite Links From Globally Dry Locations. Terahertz Science and Technology, IEEE Transactions on. 5:299–313.
Xu S.  2018.  MODELING PLASTIC DEFORMATION OF NANO/SUBMICRON-SIZED TUNGSTEN PILLARS UNDER COMPRESSION: A COARSE-GRAINED ATOMISTIC APPROACH. International Journal for Multiscale Computational Engineering. 16
Danielsen SPO, McCarty J, Shea J-E, Delaney KT, Fredrickson GH.  2019.  Molecular design of self-coacervation phenomena in block polyampholytes. Proceedings of the National Academy of Sciences. 116:8224–8232.
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.
Liu X, Burgers MA, Hsu BBY, Coughlin JE, Perez LA, Heeger AJ, Bazan GC.  2015.  Molecular orientation within thin films of isomorphic molecular semiconductors. RSC Advances. 5:89144–89148.
Das S, Lee BHoon, Linstadt R, Cunha K, Li Y, Kaufman Y, Levine ZA, Lipshutz BH, Lins RD, Shea J-E et al..  2016.  Molecularly Smooth Self-Assembled Monolayer for High-Mobility Organic Field-Effect Transistors. Nano Letters. 16(10):6709-6715.
Kristoffersen HH, Metiu H.  2015.  Molten LiCl Layer Supported on MgO: Its Possible Role in Enhancing the Oxidative Dehydrogenation of Ethane. The Journal of Physical Chemistry C. 119:8681–8691.
Patterson AL, Yu B, Danielsen SPO, Davidson EC, Fredrickson GH, Segalman RA.  2020.  Monomer Sequence Effects on Interfacial Width and Mixing in Self-Assembled Diblock Copolymers. Macromolecules.
Tree DR, Delaney KT, Ceniceros HD, Iwama T, Fredrickson GH.  2017.  A multi-fluid model for microstructure formation in polymer membranes. Soft Matter. 13:3013–3030.
Britto S, Leskes M, Hua X, Hébert C-A, Shin HSuk, Clarke S, Borkiewicz O, Chapman KW, Seshadri R, Cho J et al..  2015.  Multiple Redox Modes in the Reversible Lithiation of High-Capacity, Peierls-Distorted Vanadium Sulfide. Journal of the American Chemical Society. 137:8499–8508.
Kulkarni PM, Fu C-C, M Shell S, L Leal G.  2013.  Multiscale modeling with smoothed dissipative particle dynamics. The Journal of chemical physics. 138:234105.
Petsev ND, L Leal G, M Shell S.  2016.  Multiscale simulation of ideal mixtures using smoothed dissipative particle dynamics. Journal of Chemical Physics. 144(8):8.
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.
Ganguly P, Hajari T, Shea J-E, van der Vegt NFA.  2015.  Mutual Exclusion of Urea and Trimethylamine N-oxide from Amino Acids in Mixed Solvent Environment. The Journal of Physical Chemistry Letters. 6:581–585.
Janotti A., Reunchan P., Limpijumnong S., Van de Walle C.G.  2008.  Mutual Passivation of Electrically Active and Isovalent Impurities in Dilute Nitrides. Phys. Rev. Lett.. 100:45505.
Pho TV, Yuen JD, Kurzman JA, Smith BG, Miao M, Walker WT, Seshadri R, Wudl F.  2012.  N-Alkyldinaphthocarbazoles, Azaheptacenes, for Solution-Processed Organic Field-Effect Transistors. Journal of the American Chemical Society. 134(44):18185–18188.
Chavoshi SZare, Xu S.  2018.  Nanoindentation/scratching at finite temperatures: Insights from atomistic-based modeling. Progress in Materials Science.
Smith D.J, Leal L.G, Mitragotri S., Shell M.S.  2018.  Nanoparticle transport across model cellular membranes: when do solubility-diffusion models break down? Journal of Physics D: Applied Physics. 51(29):1-15.
Hwang J, Zhang JY, Son J, Stemmer S.  2012.  Nanoscale quantification of octahedral tilts in perovskite films. Applied Physics Letters. 100:191909.

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