Publications
Tin dioxide from first principles: Quasiparticle electronic states and optical properties. Phys. Rev. B. 83:35116.
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2011. To what extent does surface hydrophobicity dictate peptide folding and stability near surfaces? Langmuir. 31(44):12223–12230.
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2015. Top-down Enrichment Guides in Formation of Synthetic Microbial Consortia for Biomass Degradation. ACS synthetic biology.
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2019. Topological Excitonic Superfluids in Three Dimensions. Physical review B. 86:184504.
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2012. .
2018. Topological Phase Transition in the Hofstadter-Hubbard Model. arXiv preprint arXiv:1402.6704.
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2014. Towards inverse modeling of turbidity currents: the inverse lock-exchange problem. Computers & Geosciences. 37(4):521–529.
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2011. Towards understanding the doping mechanism of organic semiconductors by Lewis acids. Nature materials. 18:1327–1334.
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2019. Towards Virtual Testing of Textile Composites: Calibration of Thermoelastic Tow Properties. Journal of the American Ceramic Society. 97:1209–1217.
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2014. A transcriptome resource for the Antarctic pteropod Limacina helicina antarctica. Marine Genomics. 28:25-28.
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2016. Transition Metal Sulfide Hydrogen Evolution Catalysts for Hydrobromic Acid Electrolysis. Langmuir. 29:480.
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2013. Transmission coefficients, committors, and solvent coordinates in ion-pair dissociation. Journal of Chemical Theory and Computation.
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2014. Transport properties of KTaO3 from first-principles. Journal of Physics: Condensed Matter. 28:065502.
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2016. Tree based machine learning framework for predicting ground state energies of molecules. Journal of Chemical Physics. 145(13):9.
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2016. Trends in the Electronic Structure of Extended Gold Compounds: Implications for Use of Gold in Heterogeneous Catalysis. Inorg. Chem.. 51:7569.
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2012. Trp-Cage Folding on Organic Surfaces. The Journal of Physical Chemistry B. 119:10417–10425.
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2015. Truncation-based energy weighting string method for efficiently resolving small energy barriers.. Journal of Chemical Physics. 143(5):054105.
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2015. (TTF)Pb2I5: A Radical Cation-Stabilized Hybrid Lead Iodide with Synergistic Optoelectronic Signatures. Chemistry of Materials. 28:3607-3611.
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2016. Tunable Perovskite-Derived Bismuth Halides: Cs3Bi2 (Cl1–x I x) 9. Inorganic Chemistry.
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2020. Tuning between singlet, triplet, and mixed pairing states in an extended Hubbard chain. Phys. Rev. B. 89:104519.
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2014. Tuning Optical Properties of Conjugated Molecules by Lewis Acids: Insights from Electronic Structure Modeling. The journal of physical chemistry letters.
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2019. Tuning the magnetocaloric response in half-Heusler/Heusler MnNi 1+ x Sb solid solutions. Physical Review Materials. 1:075003.
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2017. Turning SrTiO 3 into a Mott insulator. Physical Review B. 90:195117.
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2014. Twinning effects in the single/nanocrystalline cubic silicon carbide subjected to nanoindentation loading. Materialia. 3:304–325.
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2018. Ultralow thermal conductivity in a two-dimensional material due to surface-enhanced resonant bonding. Materials Today Physics. 7:89–95.
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2018.