Publications 2011
Years
These papers are ordered by article relevance.
- Time-dependent bond-current functional theory for lattice Hamiltonians: fundamental theorem and application to electron transport
- S. Kurth, G. Stefanucci
Chemical Physics 391, 164 (2011) - Time-dependent density-functional and reduced density-matrix methods for few electrons: Exact versus adiabatic approximations
- N. Helbig, J.I. Fuks, I.V. Tokatly, H. Appel, E.K.U. Gross,A. Rubio
Chemical Physics 391, 1 - 10 (2011) - Optical properties of flavin mononucleotide: A QM/MM study of protein environment effects
- E. Cannuccia, O. Pulci, R. Del Sole, M. Cascella
Chemical Physics 389, 35 - 38 (2011) - Structural and Electronic Properties of Low-Dimensional C-Nanoassemblies and Possible Analogues for Si (and Ge)
- N.H. March, A. Rubio
Journal Of Nanomaterials 2011, 932350 (2011) - Theoretical spectroscopy techniques applied to graphene EELS and optics
- D. J. Mowbray, P. Ayala, V. Despoja, T. Pichler, A. Rubio
Physica Status Solidi B (submitted), (2011) - Transition metal impurities in fluorides: role of electronic structure of fluorine on spectroscopic properties
- A. Trueba, P. Garcia-Fernandez, J. M. García-Lastra, J.A. Aramburu, M.T. Barriuso, M. Moreno
Journal Of Fluorine Chemistry 132, 747 - 754 (2011) - Organizing Software Growth and Distributed Development: the Case of Abinit
- Yann Pouillon, Jean-Michel Beuken, Thierry Deutsch, Marc Torrent, Xavier Gonze
Computing In Science and Engineering 13, 62 - 69 (2011) - Quantum transport through molecular assemblies
- N.H. March, A. Rubio
International Journal Of Nanoelectronics and Materials 4, 1 - 7 (2011) - Anion Stabilization in Electrostatic Environments
- Roberto Olivares-Amaya, Michael Stopa, Xavier Andrade, Mark A. Watson, Alan Aspuru-Guzik
Journal Of Physical Chemistry Letters 2, 682 - 688 (2011) - Computational design of chemical nanosensors: Transition metal doped single-walled carbon nanotubes
- Duncan J. Mowbray, Juan María García-Lastra, Iker Larraza Arocena, Ángel Rubio, Kristian S. Thygesen, Karsten W. Jacobsen
Chemical Sensors: Simulation and Modeling, Ed. Ghenadii Korotcenkov, Momentum Press, Highland Park, NJ Vol. 2, (2011) - A resonant photoemission insight into the electronic structure of Gd nanowires templated in the hollow core of SWCNTs
- P. Ayala, R. Kitaura, C. Kramberger, H. Shiozawa, N. Imazu, K. Kobayashi, D. J. Mowbray, P. Hoffmann, H. Shinohara, T. Pichler
Materials Express, Vol. 1, p. 30 - 35 (2011) - Computing C1s X-ray Absorption for Single-Walled Carbon Nanotubes with Distinct Electronic Type
- Duncan J. Mowbray, Paola Ayala, Thomas Pichler, Angel Rubio
Materials Express, Vol. 1, p. 225 - 230 (2011) - Improving Octopus Towards the new Generation of HPC Systems
- Joseba Alberdi-Rodriguez, Xavier Andrade, Agustin Arruabarrena, Javier Muguerza, Angel Rubio
Jülich Blue Gene/P Extreme Scaling Workshop 2011, Ed. Mohr, Bernd; Frings, Wolfgang , JÜLICH SUPERCOMPUTING CENTRE p. 1 - 33 (2011)