Publications
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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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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.
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2016. Impact of Point Defects on Proton Conduction in Strontium Cerate. The Journal of Physical Chemistry C. 120:9562–9568.
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2018. Posner molecules: from atomic structure to nuclear spins. Physical Chemistry Chemical Physics. (20):12373-12380.
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2014. Defining the Molecular Basis of Amyloid Inhibitors: Human Islet Amyloid Polypeptide-Insulin Interactions. Journal of the American Chemical Society.
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2014. Tuning between singlet, triplet, and mixed pairing states in an extended Hubbard chain. Phys. Rev. B. 89:104519.
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2013. Ethane Activation by Nb-Doped NiO. The Journal of Physical Chemistry C. 117:23597–23608.
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2013. Methane Dissociation on Li-, Na-, K-, and Cu-Doped Flat and Stepped CaO (001). The Journal of Physical Chemistry C. 117:7114–7122.
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2015. Modeling of Terabit Geostationary Terahertz Satellite Links From Globally Dry Locations. Terahertz Science and Technology, IEEE Transactions on. 5:299–313.
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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.
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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.
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2014. Linking morphology and performance of organic solar cells based on decacyclene triimide acceptors. Journal of Materials Chemistry A. 2:1781–1789.
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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.
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2017. Unraveling Hydrophobic Interactions at the Molecular Scale Using Force Spectroscopy and Molecular Dynamics Simulations. ACS nano. 11:2586–2597.
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2015. Spatio-temporal optical random number generator. Optics Express. 23(9)
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2014. First-principles study of vacancy-assisted impurity diffusion in ZnO. APL Materials. 2:096101.
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2014. Auger Recombination in GaAs from First Principles. ACS Photonics. 1:643–646.
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2014. Using phylogenetically-informed annotation (PIA) to search for light-interacting genes in transcriptomes from non-model organisms. BMC bioinformatics. 15:350.
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2013. Evasion of Predators Contributes to the Maintenance of Male Eyes in Sexually Dimorphic Euphilomedes ostracods (Crustacea). Integrative and Comparative Biology. (in press)
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2017. Biological Thiols and Carbon Disulfide: The Formation and Decay of Trithiocarbonates under Physiologically Relevant Conditions. ACS Omega. 2:6535–6543.
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2010. The properties of small Ag clusters bound to DNA bases. J. Chem. Phys.. 132:195102.
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2006. Aggregation of polyalanine in a hydrophobic environment. J Chem Phys.. 124(13):134904.
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2017. Strongly correlated metal built from sachdev-ye-kitaev models. Physical review letters. 119:216601.
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2009. Mn3+ in Trigonal Bipyramidal Coordination: a New Blue Chromophore. J. Am. Chem. Soc.. 131:17084-17086.
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2018. Nanoparticle transport across model cellular membranes: when do solubility-diffusion models break down? Journal of Physics D: Applied Physics. 51(29):1-15.