Publications
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2020. Performing solvation free energy calculations in LAMMPS using the decoupling approach. Journal of Computer-Aided Molecular Design. :1–6.
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2020. Absolute chemical potentials for complex molecules in fluid phases: A centroid reference for predicting phase equilibria. The Journal of Chemical Physics. 153:214504.
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2012. Metal-to-Multilayer-Graphene Contact - Part II: Analysis of Contact Resistance,. IEEE Transactions on Electron Devices. 59:2453-2460.
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2012. Topological Excitonic Superfluids in Three Dimensions. Physical review B. 86:184504.
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2018. Accordion Strain Accommodation Mechanism within the Epitaxially Constrained Electrode. ACS Energy Letters. 3:1848-1853.
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2013. Subspace Fluid Re-Simulation. Proceedings of ACM SIGGRAPH. (in press)
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2012. Pseudospin Transfer Torques in Semiconductor Electron Bilayers. Phys. Rev. B. in press
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2008. CO Oxidation by Rutile TiO2(110) Doped with V, W, Cr, Mo, and Mn. J. Phys. Chem. C. 112:12398.
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2016. Order–disorder transition in thin films of horizontally-oriented cylinder-forming block copolymers: thermal fluctuations vs. preferential wetting. Soft Matter. 12:5915–5925.
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2014. Thermodynamic and kinetic aspects of defectivity in directed self-assembly of cylinder-forming diblock copolymers in laterally confining thin channels. Journal of Applied Polymer Science. 131(24):40790.
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2020. Embryonic Tissues as Active Foams. bioRxiv.
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2016. Aggregation of Chameleon Peptides: Implications of $\alpha$-Helicity in Fibril Formation. Journal of Physical Chemistry B. 120(26):5874-5883.
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2015. Quaternion Julia set shape optimization. Computer Graphics Forum.
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2012. Interlayer transport in disordered semiconductor electron bilayers. Journal of Physics: Condensed Matter. 24(35):355301.
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2014. First-principles calculations of indirect Auger recombination in nitride semiconductors. arXiv preprint arXiv:1412.7555.
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2010. Determination of Internal Loss in Nitride Lasers from First Principles. Applied Physics Express. 3:82101.
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2011. Indirect Auger recombination as a cause of efficiency droop in nitride LEDs. Appl. Phys. Lett.. 98:161107.
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2013. Temperature and carrier-density dependence of Auger and radiative recombination in nitride optoelectronic devices. New Journal of Physics. 15:125006.
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2013. Energy Conversion: Solid-State Lighting. Energy Conversion: Solid-State Lighting, in Computational Approaches to Energy Materials (eds A. Walsh, A. A. Sokol and C. R. A. Catlow).
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2010. Free-carrier absorption in nitrides from first principles. Phys. Rev. B. 81:241201.
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2012. Interplay of polarization fields and Auger recombination in the efficiency droop of nitride light-emitting diodes. Applied Physics Letters. 101(23):231107-231107.
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2017. A Ferrocene-Based Conjugated Oligoelectrolyte Catalyzes Bacterial Electrode Respiration. Chem. 2:240–257.
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2020. Mapping skyrmion stability in uniaxial lacunar spinel magnets from first principles. Physical Review B. 101:054409.
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2010. Diffraction-limited high-finesse optical cavities. Physical Review A. 81(4):043814.
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2020. The role of delocalized chemical bonding in square-net-based topological semimetals. Journal of the American Chemical Society.