Publications
Doping molecular organic semiconductors by diffusion from the vapor phase. Materials Chemistry Frontiers.
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2020. A kMC-MD method with generalized move-sets for the simulation of folding of $\alpha$-helical and $\beta$-stranded peptides. The Journal of chemical physics. 142:144903.
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2015. How water layers on graphene affect folding and adsorption of TrpZip2. The Journal of Chemical Physics. 141:22D511.
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2014. Dinitrosyl Iron Complexes with Cysteine. Kinetics Studies of the Formation and Reactions of DNICs in Aqueous Solution. Journal of the American Chemical Society.
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2014. Single-molecule photon emission statistics for systems with explicit time dependence: Generating function approach. J. Chem. Phys.. 131:214107.
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2009. Energetics of infinite homopolypeptide chains: a new look at commonly used force fields. J Phys Chem B. 112:6872.
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2008. Hydrogen-related defects in sodium alanate. Journal of Alloys and Compounds. Proceedings of the International Symposium on Metal-Hydrogen Systems, Fundamentals and Applications (MH2006):446-447,459-461.
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2007. Electrical activity of hydrogen impurities in GaSb: First-principles calculations. Phys. Rev. B. 78:35204.
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2008. Free-carrier absorption in transparent conducting oxides: Phonon and impurity scattering in SnO 2. Physical Review B. 92:235201.
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2015. Controlling n-Type Doping in MoO3. Chemistry of Materials. 29:2563–2567.
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2017. Sub-band-gap absorption in Ga2O3. Applied Physics Letters. 111:182104.
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2017. (In x Ga 1- x) 2 O 3 alloys for transparent electronics. Physical Review B. 92:085206.
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2015. Brillouin zone and band structure of $\beta$-Ga2O3. physica status solidi (b). 252:828–832.
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2015. Lack of quantum confinement in Ga 2 O 3 nanolayers. Physical Review B. 96:081409.
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2017. Impact of electric-field dependent dielectric constants on two-dimensional electron gases in complex oxides. Applied Physics Letters. 107:183505.
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2015. Structural and electronic properties of Ga2O3-Al2O3 alloys. Applied Physics Letters. 112(24)
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2018. Phonon-and charged-impurity-assisted indirect free-carrier absorption in Ga 2 O 3. Physical Review B. 100:081202.
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2019. Fundamental limits on optical transparency of transparent conducting oxides: Free-carrier absorption in SnO2. Applied Physics Letters. 100:011914-011914-3.
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2012. Monomer Sequence Effects on Interfacial Width and Mixing in Self-Assembled Diblock Copolymers. Macromolecules.
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2020. Sequence Effects on Block Copolymer Self-Assembly through Tuning Chain Conformation and Segregation Strength Utilizing Sequence-Defined Polypeptoids. Macromolecules.
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2019. NEXAFS Spectroscopy Reveals the Molecular Orientation in Blade-Coated Pyridal [2, 1, 3] thiadiazole-Containing Conjugated Polymer Thin Films. Macromolecules.
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2015. Irradiation of Nanostrained Monolayer WSe $ _2 $ for Site-Controlled Single-Photon Emission up to 150 K. arXiv preprint arXiv:2009.07315.
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2020. Finite-temperature behavior of a classical spin-orbit-coupled model for ${\mathrm{YbMgGaO}}_{4}$ with and without bond disorder. Phys. Rev. B. 97:184413.
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2018. Dehydration entropy drives liquid-liquid phase separation by molecular crowding. Communications Chemistry. 3:1–12.
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2020. Formation and migration of charged point defects in MgH2: First-principles calculations. Phys. Rev. B. 80:64102.
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2009.