Bernstein N, Aziz MJ, Kaxiras E. Amorphous-crystal interface in silicon: a tight-binding simulation. Phys. Rev. B. 1998;58 :4579.

Cho K, Kaxiras E. Diffusion of adsorbate atoms on the reconstructed Si(111) surface. Surf. Sci. Lett. 1998;396.

Waghmare UV, Kaxiras E, V.Bulatov, Duesbery MS. Effects of alloying on the ductility of MoSi_2 single crystalsfrom first-principles calculations. Modeling and Simulation in Materials Science and Engineering. 1998;6 :483.

DeKoning M, Antonelli A, Bazant MZ, Kaxiras E, Justo JF. Finite-temperature molecular-dynamics study of unstable stacking fault free energies in silicon. Phys. Rev. B. 1998;58 :12555.

Justo JF, Bazant MZ, Kaxiras E, Bulatov VV, Yip S. Interatomic potential for silicon defects and disordered phases. Phys. Rev. B. 1998;58 :2539.

Kelires PC, Kaxiras E. Substitutional carbon impurities in thin silicon films: equilibrium structure and properties. J. Vac. Sci. Technol. B. 1998;16 :1687.

Bernstein N, Aziz MJ, Kaxiras E. Atomistic features of the amorphous-crystal interface in silicon. J. of Computer Aided Materials Design. 1998;5 :55.

Chen M, Waghmare UV, Friend CM, Kaxiras E. A density functional study of clean and hydrogen-covered MoO_3(010):electronic structure and lattice relaxation. J. Chem. Phys. 1998;109 :6854.

Smith GS, Modine NA, Waghmare UV, Kaxiras E. First-principles study of static nano-scale friction betweenMoO_3 and MoS_2. J. of Computer Aided Materials Design. 1998;5 :61.

Abraham FF, Broughton JQ, Bernstein N, Kaxiras E. Spanning the continuum to quantum length scales in a dynamic simulation of brittle fracture. Europhys. Lett. 1998;44 :783.

Abraham FF, Broughton JQ, Bernstein N, Kaxiras E. Spanning the length scales in dynamic simulation. Computers in Physics. 1998;12 :538.

Antonelli A, Kaxiras E, Chadi DJ. Vacancy in silicon revisited: structure and pressure effects. Phys. Rev. Lett. 1998;81 :2088.