Diffusion and desorption of SiH3 on hydrogenated H:Si(100)-(2x1) from first principles by Ceriotti, M, Bernasconi, M

Ab initio study of the vibrational properties of crystalline TeO2: The alpha, beta, and gamma phases by Ceriotti, M, Pietrucci, F, Bernasconi, M

Density functional study of the decomposition pathways of SiH₃ and GeH₃ at the Si(100) and Ge(100) surfaces. by Ceriotti, M, Montalenti, F, Bernasconi, M

Static disorder and structural correlations in the low temperature phase of lithium imide by Miceli, G, Ceriotti, M, Bernasconi, M, Parrinello, M

Ab initio study of the diffusion and decomposition pathways of SiHx species on Si(100) by Ceriotti, M, Cereda, S, Montalenti, F, Miglio, L, Bernasconi, M

Quantitative estimate of H abstraction by thermal Si H3 on hydrogenated Si (001) (2×1) by Cereda, S, Ceriotti, M, Montalenti, F, Bernasconi, M, Miglio, L

First-principles study of the high-temperature phase of Li2NH by Miceli, G, Ceriotti, M, Angioletti-Uberti, S, Bernasconi, M, Parrinello, M

First principles study of GeSi exchange mechanisms at the Si(001) surface by Zipoli, F, Cereda, S, Ceriotti, M, Bernasconi, M, Miglio, L, Montalenti, F

Nuclear quantum effects in ab initio dynamics: theory and experiments for lithium imide by Ceriotti, M, Miceli, G, Pietropaolo, A, Colognesi, D, Nale, A, Catti, M, Bernasconi, M, Parrinello, M