Publications

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Steiauf D, Lyons JL, Janotti A, Van de Walle CG.  2014.  First-principles study of vacancy-assisted impurity diffusion in ZnO. APL Materials. 2:096101.
Stipčević M, Bowers J.  2015.  Spatio-temporal optical random number generator. Optics Express. 23(9)
Stock P, Monroe JI, Utzig T, Smith DJ, M Shell S, Valtiner M.  2017.  Unraveling Hydrophobic Interactions at the Molecular Scale Using Force Spectroscopy and Molecular Dynamics Simulations. ACS nano. 11:2586–2597.
Su GM, Patel SN, Pemmaraju CD, Prendergast D, Chabinyc ML.  2017.  First-Principles Predictions of Near-Edge X-ray Absorption Fine Structure Spectra of Semiconducting Polymers. The Journal of Physical Chemistry C. 121:9142–9152.
Su Y, Xu S, Beyerlein I.  2019.  Ab initio-informed phase-field modeling of dislocation core structures in equal-molar CoNiRu multi-principal element alloys. Modelling and Simulation in Materials Science and Engineering.
Su GM, Pho TV, Eisenmenger ND, Wang C, Wudl F, Kramer EJ, Chabinyc ML.  2014.  Linking morphology and performance of organic solar cells based on decacyclene triimide acceptors. Journal of Materials Chemistry A. 2:1781–1789.
Su Y, Ardeljan M, Knezevic M, Jain M, Pathak S, Beyerlein IJ.  2020.  Elastic constants of pure body-centered cubic Mg in nanolaminates. Computational Materials Science. 174:109501.
Su Y, Xu S, Beyerlein IJ.  2019.  Density functional theory calculations of generalized stacking fault energy surfaces for eight face-centered cubic transition metals. Journal of Applied Physics. 126:105112.
Suen JY, Fang MT, Lubin PM.  2014.  Global Distribution of Water Vapor and Cloud Cover—Sites for High-Performance THz Applications. Terahertz Science and Technology, IEEE Transactions on. 4:86–100.
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.
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.
Sun XY, Li B, Metiu H.  2013.  Ethane Activation by Nb-Doped NiO. The Journal of Physical Chemistry C. 117:23597–23608.
Sun XY, Li B, Metiu H.  2013.  Methane Dissociation on Li-, Na-, K-, and Cu-Doped Flat and Stepped CaO (001). The Journal of Physical Chemistry C. 117:7114–7122.
Susa AC, Wu C, Bernstein SL, Dupuis NF, Wang H, Raleigh DP, Shea J-E, Bowers MT.  2014.  Defining the Molecular Basis of Amyloid Inhibitors: Human Islet Amyloid Polypeptide-Insulin Interactions. Journal of the American Chemical Society.
Swift MW, Van de Walle C.G, Fisher MPA.  2018.  Posner molecules: from atomic structure to nuclear spins. Physical Chemistry Chemical Physics. (20):12373-12380.
Swift MW, Peelaers H, Mu S, Morton JJL, Van de Walle CG.  2020.  First-principles calculations of hyperfine interaction, binding energy, and quadrupole coupling for shallow donors in silicon. npj Computational Materials. 6:1–9.
Swift M, Van de Walle CG.  2016.  Impact of Point Defects on Proton Conduction in Strontium Cerate. The Journal of Physical Chemistry C. 120:9562–9568.
Swolfs Y, McMeeking RM, Verpoest I, Gorbatikh L.  2015.  The effect of fibre dispersion on initial failure strain and cluster development in unidirectional carbon/glass hybrid composites. Composites Part A: Applied Science and Manufacturing. 69:279-287.
Swolfs Y, McMeeking RM, Verpoest I, Gorbatikh L.  2015.  Matrix cracks around fibre breaks and their effect on stress redistribution and failure development in unidirectional composites. Composites Science and Technology. 108:16–22.

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