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Physical Chemistry Chemical Physics : PCCP|November 4, 2014
First principles study of point defects in SnSBrad D Malone, Adam Gali, Efthimios KaxirasPhysical Review. B, Condensed Matter and Materials Physics|July 19, 2011
Electric-field control of magnetism in graphene quantum dots: Ab initio calculationsLuis A Agapito, Nicholas Kioussis, Efthimios KaxirasNano Letters|December 7, 2007
Graphene nanoFlakes with large spinWei L Wang, Sheng Meng, Efthimios KaxirasPhilosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|May 4, 2011
Endothelial shear stress from large-scale blood flow simulationsSimone Melchionna, Efthimios Kaxiras, Massimo Bernaschi, et al.Journal of Chemical Theory and Computation|November 29, 2015
Local Bonding Effects in the Oxidation of CO on Oxygen-Covered Au(111) from Ab Initio Molecular Dynamics SimulationsThomas A Baker, Cynthia M Friend, Efthimios KaxirasPhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|October 15, 2008
Hydrodynamic correlations in the translocation of a biopolymer through a nanopore: theory and multiscale simulationsMaria Fyta, Simone Melchionna, Sauro Succi, et al.Journal of Chemical Theory and Computation|September 27, 2019
Imaginary-Time Time-Dependent Density Functional Theory and Its Application for Robust Convergence of Electronic StatesCedric Flamant, Grigory Kolesov, Efstratios Manousakis, et al.Physical Review Letters|May 21, 2005
Kinetic pathway for the formation of fe nanowires on stepped Cu111 surfacesYina Mo, Kalman Varga, Efthimios Kaxiras, et al.The Journal of Physical Chemistry Letters|August 28, 2018
Nonadiabatic Hydrogen Dissociation on Copper NanoclustersRobert A Hoyt, Matthew M Montemore, Efthimios KaxirasThe Journal of Chemical Physics|December 3, 2008
Chlorine interaction with defects on the Au(111) surface: a first-principles theoretical investigationThomas A Baker, Cynthia M Friend, Efthimios KaxirasPageof 2,600