Kinetic Monte Carlo simulations of C diffusion on sqrt(3)×sqrt(3) beta-SiC(111) based on ab initio calculations. - Maria Clelia Righi; C. A. Pignedoli; R. Di Felice; Carlo Maria Bertoni; Alessandra Catellani (Comput. Phys. Commun., 2005)

Acetylene on Si(111) from computer simulations. - C. Sbraccia; C. A. Pignedoli; Alessandra Catellani; R. Di Felice; P. L. Silvestrelli; F. Toigo; F. Ancilotto; Carlo Maria Bertoni (Comput. Phys. Commun., 2005)

Controlling the TiN Electrode Work Function at the Atomistic Level: A First Principles Investigation. - Arrigo Calzolari; Alessandra Catellani (IEEE Access, 2020)