Lu G, Kioussis N, Bulatov VV, Kaxiras E.
Dislocation core properties of aluminum: a first-principles study. Mat. Sci. and Engin. A. 2001;309 :142.
Waghmare UV, Kim H, Park IJ, Modine N, Maragakis P, Kaxiras E.
HARES: an efficient method for first-principles electronic structure calculations of complex systems. Computer Phys. Comm. 2001;137 :341.
Lu G, Zhang Q, Kioussis N, Kaxiras E.
Hydrogen enhanced local plasticity in Aluminum: an ab-initio study. Phys. Rev. Lett. 2001;87 :095501.
Remediakis IN, Kaxiras E, Kelires P.
Thermodynamics of C incorporation in Si(100). Phys. Rev. Lett. 2001;86 :4556.
Succi S, Filippova O, Smith G, Kaxiras E.
Applying the lattice Boltzmann equation to multiscale fluid problems. Computing in Science and Engineering. 2001;3 :26.
Smith GS, Tadmor EB, Bernstein N, Kaxiras E.
Multiscale simulation of silicon nanoindentation. Acta Materialia. 2001;49 :4089.
Liu H, Elstner M, Kaxiras E, Frauenheim T, Hermans J, Yang W.
Quantum mechanics simulation of protein dynamics on long timescale. Proteins: Structure, Function and Genetics. 2001;44 :484.