Items where Author is "Kaxiras, Efthimios"

Article

Quek, Su Ying ; Biener, Monika M. ; Biener, Juergen ; Bhattacharjee, Joydeep ; Friend, Cynthia M. ; Waghmare, Umesh V. ; Kaxiras, Efthimios (2007) Structure of incommensurate gold sulfide monolayer on Au(111) Journal of Chemical Physics, 127 (10). pp. 104704_1-104704_8. ISSN 0021-9606

Quek, Su Ying ; Biener, Monika M. ; Biener, Juergen ; Bhattacharjee, Joydeep ; Friend, Cynthia M. ; Waghmare, Umesh V. ; Kaxiras, Efthimios (2006) Rich coordination chemistry of Au adatoms in gold sulfide monolayer on Au(111) Journal of Physical Chemistry B, 110 (32). pp. 15663-15665. ISSN 1520-6106

Waghmare, U. V. ; Kim, Hanchul ; Park, I. J. ; Modine, Normand ; Maragakis, P. ; Kaxiras, Efthimios (2001) HARES: an efficient method for first-principles electronic structure calculations of complex systems Computer Physics Communications, 137 (3). pp. 341-360. ISSN 0010-4655

Chen, M. ; Waghmare, U. V. ; Friend, C. M. ; Kaxiras, Efthimios (1998) A density functional study of clean and hydrogen-covered α-MoO₃(010): electronic structure and surface relaxation Journal of Chemical Physics, 109 (16). pp. 6854-6860. ISSN 0021-9606

Waghmare, U. V. ; Kaxiras, Efthimios ; Bulatov, V. V. ; Duesbery, M. S. (1998) Effects of alloying on the ductility of MoSi₂ single crystals from first - principles calculations Modelling and Simulation in Materials Science and Engineering, 6 (4). pp. 493-506. ISSN 0965-0393