Publications

Found 355 results
Author Title [ Type(Desc)] Year
Journal Article
Wilson-Short G.B., Janottia A., Pelesa A., Van de Walle CG.  2009.  First-principles investigations of F and Cl impurities in NaAlH4. Journal of Alloys and Compounds. 484:247.
Krishnapriyan A, Barton PT, Miao M, Seshadri R.  2014.  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.
Yan Q, Kioupakis E, Jena D, Van de Walle CG.  2014.  First-principles study of high-field-related electronic behavior of group-III nitrides. Physical Review B. 90:121201.
Wilson-Short GB, Janotti A, Hoang K, Peles A, Van de Walle CG.  2009.  First-principles study of the formation and migration of native defects in NaAlH4. Phys. Rev. B. 80:224102.
Lugowski A, Alber D, Buluc A, Gilbert J, Reinhardt S, Teng Y, Waranis A.  2012.  A Flexible Open-Source Toolbox for Scalable Complex Graph Analysis. SIAM Conference on Data Mining (SDM). in press
Rudorff CM, Melack JM, Bates PD.  2014.  Flooding dynamics on the lower Amazon floodplain: 1. Hydraulic controls on water elevation, inundation extent, and river-floodplain discharge. Water Resources Research.
Rudorff CM, Melack JM, Bates PD.  2014.  Flooding dynamics on the lower Amazon floodplain: 2. Seasonal and interannual hydrological variability. Water Resources Research.
Wang Y, Atzberger P.  2013.  Fluctuating hydrodynamic methods for fluid-structure interactions in confined channel geometries. submitted)(available: http://www. atzberger. org).
Camley BA, Brown FLH.  2014.  Fluctuating hydrodynamics of multicomponent membranes with embedded proteins. The Journal of chemical physics. 141:075103.
Brandt EG.  2013.  Fluctuating hydrodynamics simulations of coarse-grained lipid membranes under steady-state conditions and in shear flow. Physical Review E. 88:012714.
Baumketner A., Shea J.-E..  2006.  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.
Park MSik, Janotti A, Van de Walle CG.  2009.  Formation and migration of charged point defects in MgH2: First-principles calculations. Phys. Rev. B. 80:64102.
Ratcliff EL, II RCBakus, Welch GC, van der Poll TS, Garcia A, Cowan SR, MacLeod BA, Ginley DS, Bazan GC, Olson DC.  2013.  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.
Baumketner A., Shea J.-E..  2005.  Free Energy Landscapes for Amyloidogenic Tetrapeptides Dimerization. Biophysical Journal. 89:1493-1503.
Kioupakis E, Rinke P, Schleife A, Bechstedt F, Van de Walle CG.  2010.  Free-carrier absorption in nitrides from first principles. Phys. Rev. B. 81:241201.
Peelaers H., Kioupakis E., Van de Walle C.G.  2012.  Fundamental limits on optical transparency of transparent conducting oxides: Free-carrier absorption in SnO2. Applied Physics Letters. 100:011914-011914-3.
Barkeshli M, Jiang H-C, Thomale R, Qi X-L.  2014.  Generalized Kitaev Models and Slave Genons. arXiv preprint arXiv:1405.1780.
Alexandrou MA, Swartz BA, Matzke NJ, Oakley TH.  2013.  Genome duplication and multiple evolutionary origins of complex migratory behavior in Salmonidae. Molecular phylogenetics and evolution. 69:514–523.
Suen JY, Fang MT, Lubin PM.  2014.  Global Distribution of Water Vapor and Cloud Cover—Sites for High-Performance THz Applications. Terahertz Science and Technology, IEEE Transactions on. 4:86–100.
Wang Y, Yepremyan A, Ghorai S, Todd R, Aue DH, Zhang L.  2013.  Gold-Catalyzed Cyclizations of cis-Enediynes: Insights into the Nature of Gold–Aryne Interactions. Angewandte Chemie. 125:7949–7953.
Gonzalez-Juez E.D, Meiburg E., Constantinescu S.G.  2009.  Gravity currents impinging on submerged cylinders: flow fields and associated forces. J. Fluid Mech.. 631:65-102.
Denault K, Paden S, Brinkley S, Mikhailovsky AA, Neuefeind JC, DenBaars SP, Seshadri R.  2012.  A green-yellow emitting oxyfluoride solid solution phosphor Sr2Ba (AlO4F) 1- x (SiO5) x: Ce3+ for thermally stable, high color rendition solid state white lighting. Journal of Materials Chemistry. 22:18204.
Chen R., Ju H., Jiang H.C, Starykh O.A, Balents L..  2013.  Ground states of spin-1/2 triangular antiferromagnets in a magnetic field. Phys. Rev. B. (in press)
Varley J.B, Janotti A., Van de Walle C.G.  2010.  Group-V impurities in SnO2 from first-principles calculations. Phys. Rev. B. 81:245216.
Hu Z, Metiu H.  2012.  Halogen Adsorption on CeO2: The Role of Lewis AcidäóñBase Pairing. The Journal of Physical Chemistry C. 116(11):6664-6671.

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