Publications
First-principles study of band alignments in the p-type hosts BaM2X2 (M= Cu, Ag; X= S, Se). Journal of Physics: Condensed Matter. 26:155802.
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2014. First-principles study of direct and indirect optical absorption in BaSnO3. Applied Physics Letters. 112:062106.
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2018. First-principles study of electron-phonon interactions and transport in anatase TiO 2. Physical Review B. 100:121113.
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2019. First-principles study of high-field-related electronic behavior of group-III nitrides. Physical Review B. 90:121201.
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2014. First-principles study of surface charging in LaAlO 3/SrTiO 3 heterostructures. Physical Review B. 92:085420.
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2015. First-principles study of the formation and migration of native defects in NaAlH4. Phys. Rev. B. 80:224102.
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2009. First-principles study of the mobility of SrTiO 3. Physical Review B. 90:241204.
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2014. First-principles study of transport in WO 3. Physical Review B. 101:045116.
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2020. First-principles study of vacancy-assisted impurity diffusion in ZnO. APL Materials. 2:096101.
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2014. First-principles surface energies for monoclinic Ga2O3 and Al2O3 and consequences for cracking of (Al x Ga1- x) 2O3. APL Materials. 8:091105.
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2020. First-principles theory of acceptors in nitride semiconductors. physica status solidi (b). 252:900–908.
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2015. A Flexible Open-Source Toolbox for Scalable Complex Graph Analysis. SIAM Conference on Data Mining (SDM). in press
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2012. Flooding dynamics on the lower Amazon floodplain: 1. Hydraulic controls on water elevation, inundation extent, and river-floodplain discharge. Water Resources Research.
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2014. Flooding dynamics on the lower Amazon floodplain: 2. Seasonal and interannual hydrological variability. Water Resources Research.
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2014. Fluctuating hydrodynamic methods for fluid-structure interactions in confined channel geometries. Applied Mathematics and Mechanics. 39:125–152.
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2018. Fluctuating hydrodynamics of multicomponent membranes with embedded proteins. The Journal of chemical physics. 141:075103.
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2014. Fluctuating hydrodynamics simulations of coarse-grained lipid membranes under steady-state conditions and in shear flow. Physical Review E. 88:012714.
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2013. Folding landscapes of the Alzheimer A\beta12-28 peptide from all-atom replica exchange molecular dynamics simulations in explicit solvent. J. Mol. Biol.. 362:567-579.
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2006. Formation and migration of charged point defects in MgH2: First-principles calculations. Phys. Rev. B. 80:64102.
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2009. Formation of interfacial traps upon surface protonation in small molecule solution processed bulk heterojunctions probed by photoelectron spectroscopy. Journal of Materials Chemistry C. 1:6223–6234.
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2013. Frank-Read source operation in six body-centered cubic refractory metals. Journal of the Mechanics and Physics of Solids. :104017.
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2020. Free Energy Landscapes for Amyloidogenic Tetrapeptides Dimerization. Biophysical Journal. 89:1493-1503.
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2005. Free-carrier absorption in nitrides from first principles. Phys. Rev. B. 81:241201.
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2010. Free-carrier absorption in transparent conducting oxides: Phonon and impurity scattering in SnO 2. Physical Review B. 92:235201.
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2015. Frozen Gaussian approximation for 3-D elastic wave equation and seismic tomography. Geophysical Journal International. 216:1394–1412.
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2018.