Publications

Journal Article
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.
Wang F, Balbus GH, Xu S, Su Y, Shin J, Rottmann PF, Knipling KE, Stinville J-C, Mills LH, Senkov ON et al..  2020.  Multiplicity of dislocation pathways in a refractory multiprincipal element alloy. Science. 370:95–101.
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.
Gupta A, Sezer ADundar, Madhow U.  2020.  Multi-sensor Spatial Association using Joint Range-Doppler Features. arXiv preprint arXiv:2007.05907.
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.
Akporji N, Thakore RR, Cortes-Clerget M, Andersen J, Landstrom E, Aue DH, Gallou F, Lipshutz BH.  2020.  N 2 Phos–an easily made, highly effective ligand designed for ppm level Pd-catalyzed Suzuki–Miyaura cross couplings in water. Chemical Science.
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.
Douglas JE, Chater PA, Brown CM, Pollock TM, Seshadri R.  2014.  Nanoscale structural heterogeneity in Ni-rich half-Heusler TiNiSn. Journal of Applied Physics. 116:163514.
Lin Y, McCarty J, Rauch JN, Delaney KT, Kosik KS, Fredrickson GH, Shea J-E, Han S.  2019.  Narrow equilibrium window for complex coacervation of tau and RNA under cellular conditions. Elife. 8:e42571.
Weber J.R, Janotti A., Van de Walle C.G.  2011.  Native defects in Al2O3 and their impact on III-V/Al2O3 metal-oxide-semiconductor-based devices. Journal of Applied Physics. 109(3):33715.
Choi M, Janotti A, Van de Walle CG.  2013.  Native point defects and dangling bonds in alpha-Al2O3. Journal of Applied Physics. 113(4):44501.

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