First-principles investigations of F and Cl impurities in NaAlH4. Journal of Alloys and Compounds. 484:247.. 2009.
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.. 2014.
First-principles study of high-field-related electronic behavior of group-III nitrides. Physical Review B. 90:121201.. 2014.
First-principles study of the formation and migration of native defects in NaAlH4. Phys. Rev. B. 80:224102.. 2009.
A Flexible Open-Source Toolbox for Scalable Complex Graph Analysis. SIAM Conference on Data Mining (SDM). in press. 2012.
Flooding dynamics on the lower Amazon floodplain: 1. Hydraulic controls on water elevation, inundation extent, and river-floodplain discharge. Water Resources Research.. 2014.
Flooding dynamics on the lower Amazon floodplain: 2. Seasonal and interannual hydrological variability. Water Resources Research.. 2014.
Fluctuating hydrodynamic methods for fluid-structure interactions in confined channel geometries. submitted)(available: http://www. atzberger. org).. 2013.
Fluctuating hydrodynamics of multicomponent membranes with embedded proteins. The Journal of chemical physics. 141:075103.. 2014.
Fluctuating hydrodynamics simulations of coarse-grained lipid membranes under steady-state conditions and in shear flow. Physical Review E. 88:012714.. 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.. 2006.
Formation and migration of charged point defects in MgH2: First-principles calculations. Phys. Rev. B. 80:64102.. 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.. 2013.
Free Energy Landscapes for Amyloidogenic Tetrapeptides Dimerization. Biophysical Journal. 89:1493-1503.. 2005.
Free-carrier absorption in nitrides from first principles. Phys. Rev. B. 81:241201.. 2010.
Fundamental limits on optical transparency of transparent conducting oxides: Free-carrier absorption in SnO2. Applied Physics Letters. 100:011914-011914-3.. 2012.
Generalized Kitaev Models and Slave Genons. arXiv preprint arXiv:1405.1780.. 2014.
Genome duplication and multiple evolutionary origins of complex migratory behavior in Salmonidae. Molecular phylogenetics and evolution. 69:514–523.. 2013.
Global Distribution of Water Vapor and Cloud Cover—Sites for High-Performance THz Applications. Terahertz Science and Technology, IEEE Transactions on. 4:86–100.. 2014.
Gold-Catalyzed Cyclizations of cis-Enediynes: Insights into the Nature of Gold–Aryne Interactions. Angewandte Chemie. 125:7949–7953.. 2013.
Gravity currents impinging on submerged cylinders: flow fields and associated forces. J. Fluid Mech.. 631:65-102.. 2009.
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.. 2012.
Ground states of spin-1/2 triangular antiferromagnets in a magnetic field. Phys. Rev. B. (in press). 2013.
Group-V impurities in SnO2 from first-principles calculations. Phys. Rev. B. 81:245216.. 2010.
Halogen Adsorption on CeO2: The Role of Lewis AcidäóñBase Pairing. The Journal of Physical Chemistry C. 116(11):6664-6671.. 2012.