Publications
1,2,3,4,6-penta-O-galloyl-β-d-glucopyranose binds to the N-terminal metal binding region to inhibit amyloid β-protein oligomer and fibril formation. International Journal of Mass Spectrometry. 420
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2017. 2004 Mw 6.0 Parkfield, California, earthquake: Inversion of Near-Source Ground Motion Using Different Datasets. Geophysical Research Letters. 32:L23312.
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2005. [3, 3]-Sigmatropic Rearrangement versus Carbene Formation in Gold-Catalyzed Transformations of Alkynyl Aryl Sulfoxides: Mechanistic Studies and Expanded Reaction Scope. Journal of the American Chemical Society. 135:8512–8524.
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2013. Ab Initio Calculations of Band Gaps and Absolute Band Positions of Polymorphs of RbPbI3 and CsPbI3: Implications for Main-Group Halide Perovskite Photovoltaics. The Journal of Physical Chemistry C. 118:27721–27727.
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2014. 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 investigation of FeAs/GaAs heterostructures for potential spintronic and superconducting applications. Physical Review B. 85(15):155126.
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2012. Ab initio study of enhanced thermal conductivity in ordered AlGaO3 alloys. Applied Physics Letters. 115:242103.
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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. 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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2020. Absolute surface energies of polar and nonpolar planes of GaN. Phys. Rev. B. 89:081305.
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2014. Acceptor doping in the proton conductor SrZrO 3. Physical Chemistry Chemical Physics. 19:11485–11491.
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2017. Accordion Strain Accommodation Mechanism within the Epitaxially Constrained Electrode. ACS Energy Letters. 3:1848-1853.
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2018. Accuracy of topological entanglement entropy on finite cylinders. Physical Review Letters. 111:107205.
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2013. Accurate and efficient band-offset calculations from density functional theory. Computational Materials Science. 151:174–180.
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2018. Acid-Base Interaction and Its Role in Alkane Dissociative Chemisorption on Oxide Surfaces. J. Phys. Chem. C. 118:27336-27342.
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2014. ADD Force Field for Sugars and Polyols: Predicting the Additivity of Protein–Osmolyte Interaction. The Journal of Physical Chemistry B. 124:7779–7790.
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2020. Adhesion and detachment of a capsule in axisymmetric flow. Physical Review Fluids. 1(1):013201.
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2016. Advances in electronic structure methods for defects and impurities in solids. Phys. Status Solidi B. 248:19.
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2011. .
2015. Aggregate Hours and Local Projections with Long-Run Restrictions. Available at SSRN 3472052.
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2020. Aggregation of Chameleon Peptides: Implications of $\alpha$-Helicity in Fibril Formation. Journal of Physical Chemistry B. 120(26):5874-5883.
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2016. Aggregation of polyalanine in a hydrophobic environment. J Chem Phys.. 124(13):134904.
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2006. Alternative sources of p-type conduction in acceptor-doped ZnO. Appl. Phys. Lett.. 97:72112.
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2010. Ambipolar doping in SnO. Applied Physics Letters. 103:082118.
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2013. Amyloid $\beta$-Protein C-terminal Fragments: Formation of Cylindrins and $\beta$-barrels. Journal of the American Chemical Society. 138:549–557.
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2016.