Publications 2008


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These papers are ordered by article relevance.

Molecular Dynamics and Phase Transition in One-Dimensional Crystal of C60 Encapsulated Inside Single Wall Carbon Nanotubes
E. Abou-Hamad, Y. Kim, T. Wägberg, D. Boesch, S. Aloni, A. Zettl, A. Rubio, D. E. Luzzi, C. Goze-Bac
ACS Nano 3, 3878 - 3883 (2008)
Anharmonic Noninertial Lattice Dynamics during Ultrafast Nonthermal Melting of InSb
E.S. Zijlstra, J. Walkenhorst, M.E. Garcia
Physical Review Letters 101, 135701 (2008)
Efficient Formalism for Large-Scale Ab Initio Molecular Dynamics based on Time-Dependent Density Functional Theory
J.L. Alonso, X. Andrade, P. Echenique, F. Falceto, D. Prada-Gracia, A. Rubio
Physical Review Letters 101, 96403 - 4 (2008)
Equilibrium spin currents: Non-Abelian gauge invariance and color diamagnetism in condensed matter
I.V. Tokatly
Physical Review Letters 101, 106601 (2008)
Optical saturation driven by exciton confinement in molecular-chains: a TDDFT study
D. Varsano, A. Marini, A. Rubio
Physical Review Letters 101, 13302 - 4 (2008)
Site-selective conductance of sidewall functionalized carbon nanotubes
J.M. García-Lastra, K.S. Thygesen, M. Strange, A. Rubio
Physical Review Letters 101, 236806 - 4 (2008)
Comment on "Huge Excitonic Effects in Layered Hexagonal Boron Nitride"
L. Wirtz, A. Marini, M. Grüning, C. Attaccalite, G. Kresse, A. Rubio
Physical Review Letters 100, 189701 (2008)
Electron-Electron Correlation in Graphite: A Combined Angle-Resolved Photoemission and First-Principles Study
A. Grüneis, C. Attaccalite, T. Pichler, V. Zabolotnyy, H. Shiozawa, S.L. Molodtsov, D. Inosov, A. Koitzsch, M. Knupfer, J. Schiessling, R. Follath, R. Weber, P. Rudolf, L. Wirtz, A. Rubio
Physical Review Letters 100, 37601 - 4 (2008)
Quantum Stress Focusing in Descriptive Chemistry
J. Tao, G. Vignale, I. V. Tokatly
Physical Review Letters 100, 206405 (2008)
Stable Liquid Hydrogen at High Pressure by a Novel Ab Initio Molecular-Dynamics Calculation
C. Attaccalite, S. Sorella
Physical Review Letters 100, 114501 (2008)
Zinc porphyrin - driven assembly of gold nanofingers
V. Arima, R. I. R. Blyth, F. Matino, L. Chiodo, F. Della Sala, J. Thompson, T. Regier, R. Del Sole, G. Mele, G. Vasapollo, R. Cingolani, R. Rinaldi
Small 4, 497 - 506 (2008)
Sharing electronic structure and crystallographic data with ETSF_IO
D. Caliste, Y. Pouillon, M.J. Verstraete, V. Olevano, X. Gonze
Computer Physics Communications 179, 748 - 758 (2008)
Ab initio study of the dielectric response of crystalline ropes of metallic single-walled carbon nanotubes: Tube-diameter and helicity effects
A. G. Marinopoulos, Lucia Reining,, Angel Rubio
Physical Review B 78, 235428 - 9 (2008)
Cluster-surface and cluster-cluster interactions: ab initio calculations and modelling of Van der Waals forces
S. Botti, A. Castro, X. Andrade, A. Rubio, M.A.L. Marques
Physical Review B 78, 35333 - 10 (2008)
Impact of the electron-electron correlation on phonon dispersions: failure of LDA and GGA functionals in graphene and graphite
M. Lazzeri, C. Attaccalite, L. Wirtz, F. Mauri
Physical Review B 78, 81406 (2008)