%0 Journal Article %J Phys. Rev. B %D 2005 %T Electron-phonon interaction in ultrasmall-radius carbon nanotubes %A R. Barnett %A E. Demler %A E. Kaxiras %B Phys. Rev. B %V 71 %P 035429 %G eng %0 Journal Article %J Phys. Rev. Lett. %D 2005 %T Hydrogen embrittlement of aluminum: The crucial role of vacancies %A G. Lu %A E. Kaxiras %B Phys. Rev. Lett. %V 94 %G eng %0 Journal Article %J Phys. Rev. Lett. %D 2005 %T Kinetic pathway for the formation of Fe nanowires on stepped Cu(111) surfaces %A Y. Mo %A K. Varga %A E. Kaxiras %A Z. Zhang %B Phys. Rev. Lett. %V 94 %G eng %0 Journal Article %J Phys. Rev. B %D 2005 %T Multiscale simulations in simple metals: A density-functional-based methodology %A N. Choly %A G. Lu %A W. E %A E. Kaxiras %B Phys. Rev. B %V 71 %P 094101 %G eng %0 Journal Article %J J. Phys. Chem. A %D 2005 %T A TDDFT study of the optical response of DNA bases, base pairs and their tautomers in the gas phase %A A. Tsolakidis %A E. Kaxiras %B J. Phys. Chem. A %V 109 %G eng %0 Journal Article %J Surface Sci. Lett. %D 2005 %T Tuning electronic properties of novel metal oxide nanocrystals using interface interactions:MoO3 monolayers on Au(111) %A S.Y. Quek %A M.M. Biener %A J. Biener %A C.M. Friend %A E. Kaxiras %B Surface Sci. Lett. %V 577 %G eng %0 Journal Article %J Nano Lett. %D 2005 %T Carbon nanotube interaction with DNA %A G. Lu %A P. Maragakis %A E. Kaxiras %B Nano Lett. %V 5 %P 897 %G eng %0 Journal Article %J Phys. Rev. B %D 2005 %T From electrons to finite elements: A concurrent multiscale approach formetals %A G. Lu %A E. Tadmor %A E. Kaxiras %B Phys. Rev. B %V 73 %P 024108 %G eng %0 Journal Article %J J. Phys. Chem. B %D 2005 %T Orbital-free density functional theory applied to NaAlH4 %A T.J. Frankcombe %A G.J. Kroes %A N.I. Choly %A E. Kaxiras %B J. Phys. Chem. B %V 109 %P 16554 %G eng %0 Journal Article %J Solid State Comm. %D 2005 %T Superconducting and charge-density wave instabilities in ultrasmall-radius carbon nanotubes %A R. Barnett %A E. Demler %A E. Kaxiras %B Solid State Comm. %V 135 %P 335 %G eng