Publications
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. 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. Energetics of infinite homopolypeptide chains: a new look at commonly used force fields. J Phys Chem B. 112:6872.
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2008. Single-molecule photon emission statistics for systems with explicit time dependence: Generating function approach. J. Chem. Phys.. 131:214107.
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2009. 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. 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. Doping molecular organic semiconductors by diffusion from the vapor phase. Materials Chemistry Frontiers.
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2020. Multiscale simulation of ideal mixtures using smoothed dissipative particle dynamics. Journal of Chemical Physics. 144(8):8.
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2016. Hybrid molecular-continuum simulations using smoothed dissipative particle dynamics. The Journal of Chemical Physics. 142:044101.
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2015. 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. Decacyclene Triimides: Paving the Road to Universal Non-Fullerene Acceptors for Organic Photovoltaics. Advanced Energy Materials.
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2013. N-Alkyldinaphthocarbazoles, Azaheptacenes, for Solution-Processed Organic Field-Effect Transistors. Journal of the American Chemical Society. 134(44):18185–18188.
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2012. Ab initio computation for solid-state 31 P NMR of inorganic phosphates: revisiting X-ray structures. Physical Chemistry Chemical Physics.
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2019. Microring-based optical isolator and circulator with integrated electromagnet for silicon photonics. Journal of Lightwave Technology. 35:1429–1437.
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2017. Microring-based Optical Isolator and Circulator with Integrated Electromagnet for Silicon Photonics. Journal of Lightwave Technology.
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