Maragakis P, Andreev S, Brumer Y, Reichman DR, Kaxiras E.
Adaptive nudged elastic band approach for transition state calculations. J. Chem. Phys. 2002;117 :4651.
Maragakis P, Barnett RL, Kaxiras E, Elstner M, Frauenheim T.
Electronic structure of overstretched DNA. Phys. Rev. B. 2002;66 :241104.
Gabrielli A, Succi S, Kaxiras E.
A lattice Boltzmann study of reactive microflows. Comp. Phys. Comm. 2002;147 :516.
Tadmor EB, Waghmare UV, Smith GS, Kaxiras E.
Polarization switching in PbTiO3: an ab initio finite element simulation. Acta Materialia. 2002;50 :2989.