Publications
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2019. 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. 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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2019. Atomic-Level Insight into the Post Synthesis Bandgap Engineering of a Lewis Basic Polymer Using the Lewis Acid Tris (pentafluorophenyl) borane. Chemistry of Materials.
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2019. Atomistic simulations of dipole tilt wall stability in thin films. Thin Solid Films.
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2019. Candidate Inorganic Photovoltaic Materials from Electronic Structure-Based Optical Absorption and Charge Transport Proxies. Chemistry of Materials.
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2019. The capricious nature of iodine catenation in I2 excess, perovskite-derived hybrid Pt(IV) compounds. Chemical Communications. 55(5):588-591.
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2019. Charge Recombination Dynamics in Organic Photovoltaic Systems with Enhanced Dielectric Constant. Advanced Functional Materials. :1901269.
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2019. Coherent Phonon Transport in Two-dimensional Graphene Superstructures. arXiv preprint arXiv:1904.03316.
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2019. A comparison of different continuum approaches in modeling mixed-type dislocations in Al. Modelling and Simulation in Materials Science and Engineering.
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2019. Complete Phase Diagram for Liquid–Liquid Phase Separation of Intrinsically Disordered Proteins. The Journal of Physical Chemistry Letters. 10(8):1644-1652.
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2019. Connecting the Simpler Structures to Topologically Close-Packed Phases. Physical review letters. 121:255701.
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2019. Contrasting Dielectric Properties of Electrolyte Solutions with Polar and Polarizable Solvents. Physical Review Letters. 122(12)
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2019. Controlling Thermal Conductivity of Two-dimensional Materials via Externally Induced Phonon-Electron Interaction. arXiv preprint arXiv:1904.11011.
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2019. Deep Neural Network Classifier for Variable Stars with Novelty Detection Capability. The Astrophysical Journal Letters. 877:L14.
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2019. Direct Observation of the Relationship between Molecular Topology and Bulk Morphology for a π-Conjugated Material. Journal of the American Chemical Society. 141(13):5078-5082.
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2019. Evaluation of Alternative Direction-of-Arrival Methods for Oceanographic HF Radars. IEEE Journal of Oceanic Engineering.
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2019. Fermi-level Dirac crossings in 4 d and 5 d cubic metal oxides: NaPd 3 O 4 and NaPt 3 O 4. Physical Review B. 99:195148.
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2019. Ferromagnetism and Spin-Valley liquid states in Moir$\backslash$'${$e$}$ Correlated Insulators. arXiv preprint arXiv:1905.00033.
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2019. Field-Theoretic Study of Salt-Induced Order and Disorder in a Polarizable Diblock Copolymer. ACS Macro Letters.
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2019. Holographic entropy cone for five regions. Physical Review D. 100:026004.
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2019. A hybrid, bottom-up, structurally accurate, G o\=-like coarse-grained protein model. The Journal of chemical physics. 151:044111.
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2019. Integrated rate laws for processive and distributive enzymatic turnover. The Journal of chemical physics. 150:244120.
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2019. Landau levels in twisted bilayer graphene and semiclassical orbits. arXiv preprint arXiv:1903.11563.
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2019. Machine-learning the configurational energy of multicomponent crystalline solids. npj Computational Materials. 4:56.
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2019. Manganese oxidation as the origin of the anomalous capacity of Mn-containing Li-excess cathode materials. Nature Energy. :1.