Publications

Found 355 results
Author [ Title(Asc)] Type Year
A B C D E F G H I J K L M N O P Q R S T U V W X Y Z 
H
Kurzman JA, Miao M-S, Seshadri R.  2011.  Hybrid functional electronic structure of PbPdO2, a small-gap semiconductor. J. Phys.: Condens. Matte. 23:465501.
Weston L, Janotti A, Cui XY, Stampfl C, Van de Walle CG.  2014.  Hybrid functional calculations of point defects and hydrogen in SrZrO 3. Physical Review B. 89:184109.
Gordon L, Lyons JL, Janotti A, Van de Walle CG.  2014.  Hybrid functional calculations of D X centers in AlN and GaN. Physical Review B. 89:085204.
Sigurdsson J.K., Brown F.L.H., Atzberger P.J..  2013.  Hybrid Continuum-Particle Method for Fluctuating Lipid Bilayer Membranes with Diffusing Protein Inclusions. J. of Comp. Phys.. 252:65.
Peter EK, Agarwal M, Kim B, Pivkin IV, Shea J-E.  2014.  How water layers on graphene affect folding and adsorption of TrpZip2. The Journal of Chemical Physics. 141:22D511.
Laachi N, Delaney KT, Kim B, Hur S-M, Bristol R, Shykind D, Weinheimer CJ, Fredrickson GH.  2013.  The hole shrink problem: Theoretical studies of directed self-assembly in cylindrical confinement. SPIE Advanced Lithography.
Buluc A, Duriakova E, Fox A, Gilbert JR, Kamil S, Lugowski A, Oliker L, Williams S.  2013.  High-productivity and high-performance analysis of filtered semantic graphs. Parallel & Distributed Processing (IPDPS), 2013 IEEE 27th International Symposium on.
Miao M-S, Hoffmann R.  2014.  High Pressure Electrides: A Predictive Chemical and Physical Theory. Accounts of chemical research. 47:1311–1317.
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.
G
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.
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)
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.
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.
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.
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.
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.
Barkeshli M, Jiang H-C, Thomale R, Qi X-L.  2014.  Generalized Kitaev Models and Slave Genons. arXiv preprint arXiv:1405.1780.
F
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.
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.
Baumketner A., Shea J.-E..  2005.  Free Energy Landscapes for Amyloidogenic Tetrapeptides Dimerization. Biophysical Journal. 89:1493-1503.
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.
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.
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.
Brandt EG.  2013.  Fluctuating hydrodynamics simulations of coarse-grained lipid membranes under steady-state conditions and in shear flow. Physical Review E. 88:012714.
Camley BA, Brown FLH.  2014.  Fluctuating hydrodynamics of multicomponent membranes with embedded proteins. The Journal of chemical physics. 141:075103.

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