Publications: "Red Española de Supercomputación" (RES)

These papers are ordered by article influence.

Renormalization of Molecular Quasiparticle Levels at Metal-Molecule Interfaces: Trends across Binding Regimes

K.S. Thygesen, A. Rubio
Physical Review Letters 102, 46802 (2009)

Customized Electronic Coupling in Self-Assembled Donor-Acceptor Nanostructures

D.G. de Oteyza, J.M. García-Lastra, M. Corso, B.P. Doyle, L. Floreano, A. Morgante, Y. Wakayama, A. Rubio, J. E. Ortega
Advanced Functional Materials 19, 3573 - 3567 (2009)

A modified Ehrenfest formalism for efficient large scale ab-initio molecular dynamics

X. Andrade, A. Castro, D. Zueco, J.L. Alonso, P. Echenique, F. Falceto, A. Rubio
Journal Of Chemical Theory And Computation 5, 728 - 742 (2009)

Polarization-induced renormalization of molecular levels at metallic and semiconducting surfaces

J.M. García-Lastra, C. Rostgaard, A. Rubio, K. S. Thygesen
Physical Review B 80, 245427 (2009)

Angle-resolved photoemission study of the graphite intercalation compound KC₈: A key to graphene

A. Grüneis, C. Attaccalite, A. Rubio, D.V. Vyalikh, S.L. Molodtsov, J. Fink, R. Follath, W. Eberhardt, B. Büchner,, T. Pichler
Physical Review B 80, 75431 (2009)

Phonon surface mapping of graphite: disentangling quasi–degenerate phonon dispersions.

A. Grüneis, J. Serrano, A. Bosak, M. Lazzeri, S.L. Molodtsov, L. Wirtz, C. Attaccalite, M. Krisch, A. Rubio, F. Mauri, T. Pichler
Physical Review B 80, 85423 (2009)

Hot electron assisted femtochemistry at surfaces - A time-dependent density functional theory approach

J. Gavholt, A. Rubio, T. Olsen, K. Thygesen, J. Schiotz
Physical Review B 79, 195405 - 10 (2009)

Electronic structure and electron-phonon coupling of doped graphene layers in KC₈

A. Grüneis, C. Attaccalite, A. Rubio, D. Vyalikh, S.L. Molodtsov, J. Fink, R. Follath, W. Eberhardt, B. Büchner, T. Pichler
Physical Review B 79, 205106 - 9 (2009)

Potassium intercalated single-wall carbon nanotube bundles: Archetypes for semiconductor/metal hybrid systems

C. Kramberger, H. Rauf, M. Knupfer, H. Shiozawa, D. Batchelor, A. Rubio, H. Kataura, T. Pichler
Physical Review B 75, 195442 - 5 (2009)

A dynamic landscape from femtoseconds to minutes for electron solvation at ice-metal interfaces

U. Bovensiepen, C. Gahl, J. Stähler, M. Bockstedte, F. Baletto, S. Scandolo, X.-Y. Zhu, A. Rubio, M. Wolf
Journal Of Physical Chemistry C 113, 979 - 988 (2009)

Time dependent density functional theory

A. Rubio, M.A.L. Marques
Physical Chemistry Chemical Physics 11, 4436 (2009)

The challenge of predicting optical properties of biomolecules: what can we learn from time-dependent density-functional theory

A. Castro, M.A.L. Marques, D. Varsano, F. Sottile, A. Rubio
Comptes Rendus Physique 10, 469 - 490 (2009)

Absorption spectra of p-Nitrophenolate Anions in Vacuo and in Solution

M-B.S. Kirketerp, M.A. Petersen, M. Wanko, L.A. Espinosa Leal, H. Zettergren, F.M. Raymo, A. Rubio, M. Brøndsted Nielsen, S. Brøndsted Nielsen
Chemphyschem 10, 1207 - 1209 (2009)

Photo-excitation of a light-harvesting supra-molecular triad: a Time-Dependent DFT 

N. Spallanzani, C. A. Rozzi, D. Varsano, T. Baruah, M. R. Pederson, F. Manghi, A. Rubio
Journal Of Physical Chemistry B 113, 5345 - 5349 (2009)

Fingerprints of bonding motifs in DNA duplexes of adenine and thymine revealed from circular dichroism: synchrotron radiation experiments and TDDFT calculations

L. Nielsen, A. Holm, D. Varsano, U. Kadhana, S. Hoffmann, R. Di Felice, A. Rubio, S. Nielsen
Journal Of Physical Chemistry B 113, 9614 - 9619 (2009)