Congress, Workshops and Schools - 2010

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• Satellite Workshop HAXPES
  Synchrotron SOLEIL, France, January 18-19, 2010
  1. Signatures of the metal-insulator transition in the valence electron region of VO2, M. Gatti
• Workshop on the use of GPUs for Abinit and BigDFT calculations
  UcL, Louvain-la-Neuve, Belgium, Februrary 4-5, 2010
  1. Adapting the build system of Abinit to GPUs, Y. Pouillon
• International Winterschool on Electronic Properties of Novel Materials (IWEPNM2010)
  Kirchberg/Tirol, Austria March 6-13 (2010)
  1. Computational design of chemical nanosensors: Metal doped carbon nanotubes, D. J. Mowbray, J. M. García-Lastra, K. S. Thygesen, A. Rubio, and K. W. Jacobsen
  2. Optical Properties and Electronic Structure of (6,5) enriched SWCNT, K. De Blauwe, C. Kramberger, P. Ayala, F. Simon, Y. Miyata, H. Shiozawa, D.J. Mowbray, A. Rubio, P. Hoffmann, H. Kuzmany, H. Kataura, T. Pichler
• DPG Frühjahrstagung
  Regensburg, Germany, March 21-26 (2010)
  1. Is there a physical meaning of the natural orbitals? Analysis of exactly solvable models,   N. Helbig
  2. Bridging rare-earth physics and chemistry: a hybrid functional study for Ce  M. Casade
  3. Evolution od electron traps at ice surface: aggregation of orientational defects, M. Bockstedte
• New Trends in the Theory of Strongly Correlated Electron Systems
  Grenoble, France April 8-9 (2010)
  1. Mott transition in one-dimension: Variational Monte Carlo applied to Hydrogen chains
     L. Stella, C. Attaccalite, A. Rubio
• Nanoscale Devices for Environmental and Energy Applications, Encuentro Consolider  (NDEEA10)
  San Sebastián, Spain April 26-27 (2010)
  1. Ab-initio optical properties of dyes for hybrid solar cells, a TDDFT approach, U. De Giovannini, L. Chiodo, and A. Rubio
  2. Influence of the supramolecular environment in molecular layers on their electronic properties,  D.G. de Oteyza, J.M. García-Lastra, M. Corso, B.P. Doyle, L. Floreano, A. Morgante, Y. Wakayama, A. Rubio, J.E. Ortega
  3. Computational Design of Chemical Nanosensors: Metal Doped Carbon Nanotubes, D. J. Mowbray, J. M. García-Lastra, K. S. Thygesen, A. Rubio, and K. W. Jacobsen
• Young Researchers' Meeting 2010
  Jyväskylä, Finland 31-May-4-June (2010)
  1. No Software, No Research, Y. Pouillon, A. Jacques, X. Gonze, C. Hogan, J.M. Beuken
  2. Vibrational Excitation of Molecules in STM-IETS - A Theoretical Approach, J. Walkenhorst, A. Castro, L. Stella, A. Rubio
  3. Calculation of the optical properties of solids with meta-GGAs, F. Berardi, X. Andrade, M.A.L. Marques and A. Rubio
  4. Assessing Self-Consistency in the GW approach,  F. Caruso,  X. Ren, P. Rinke, A. Rubio and M. Scheffler
  5. Bridging rare-earth physics and chemistry: a hybrid functional study for Ce, M. Casadei, X. Ren, P. Rinke, A. Rubio and M. Scheffler
  6. The full dielectric response from time-dependent density functional theory, A. Sakko, A. Rubio, M. Hakala, and K. Hämäläinen  (poster pdf format)
  7. Excited state properties of TiO2 bulk versus nanostructures, A. Iacomino, J.M. Garcia-Lastra, L. Chiodo, S. Ossicini, H. Petek and A. Rubio
  8. Transport properties of quantum dots in the Wigner molecule regime, U. De Giovannini, F. Cavaliere, M. Sassetti, and B. Kramer
  9. Excitons in dense sodium, M. Gatti, I. Tokatly, and A. Rubio
• CECAM workshop on "Electronic-structure challenges in materials modeling for energy applications"
  Lausanne, June 1-4 (2010)
  1. RDMFT: a solution to the dissociation and charge transfer problems?,   N. Helbig, I.V. Tokatly, and A. Rubio
• CECAM workshop on "Quantum Monte Carlo meets Quantum Chemistry"
  Lugano, June 15-18 (2010)
  1. Metal-insulator transition of one-dimension Hydrogen chains: a Variational Monte Carlo study, L. Stella, C. Attacalitte and A. Rubio
• CECAM Tutorial on "Basic techniques and tools for development and maintenance of atomic-scale software"
  
  Zaragoza, Spain, June 21-25 (2010)
  1. Distributed development with Bazaar, Y. Pouillon
     
  2. Bazaar Hands-on, Y. Pouillon
  3. From Makefiles to Autotools, Y. Pouillon and F. Lorenzen
  4. Autotools Hands-on, Y. Pouillon
  5. Optimizing and Profiling, J. Alberdi and X. Andrade
  6. Optimizing and Profiling Hands-on, J. Alberdi
  7. Organizers of the tutorial: D. Caliste, A. Castro, X. Gonze, Y. Pouillon, F. Sottile, M. Verstraete
• CECAM workshop on "Computational spectroscopy using Quantum Espresso and related codes"
  Trieste, July 26-30 (2010)
  1. STM-IETS: A tool to locally excite molecular vibrations? - A theoretical case study,   J. Walkenhorst, A. Castro, M. Wanko and A. Rubio

• Ψ_k Conference 2010
  Berlin, Germany September 12-16 (2010)
  1. Excited-state properties of confined water permeating through nanochannels, Y. Pouillon and A. Rubio
  2. Time-dependent density functional theory calculations beyond dipole selection rule, A. Sakko,M.O. Jahala, A. Rubio and K. Hamalainen
  3. Many body effects in the excitation spectrum of a defect in SiC, M. Bockstedte, A. Marini, O. Pankratov and A. Rubio
  4. Metal-insulator transition of one-dimension hydrogen chain: a variational Monte Carlo study, L. Stella, C. Attacalitte and A. Rubio
  5. Analog of Rabi oscillations in resonant electron-ion systems, L. Stella, A.H. Horsfield, and A.J. Fisher
  6. Nonlinear response in Density Functional Theory: LDA versus exact, N. Helbig, J. Fuks, M. Casula, M.A.L. Marques, I. Tokatly and A. Rubio
  7. Applying hybrid functional and many body methods to rare earth: a study of Cerium clusters, M. Casadei, X. Ren, P. Rinke, A. Rubio and M. Scheffler
  8. Designing multifunctional chemical sensors using metal doped carbon nanotubes, D. J. Mowbray, J. M. García-Lastra, K. S. Thygesen, A. Rubio, and K. W. Jacobsen
  9. Trends in metal oxide stability for nanorods, nanotubes, and surfaces, D. J. Mowbray, J. I. Martínez, F. Calle­-Vallejo, K. S. Thygesen, K. W. Jacobsen, and J. K. Nørskov
  10. Theoretical investigation of local vibrational excitations by STM-IETS in molecules, J. Walkenhorst, A. Castro, M. Wanko and A. Rubio
  11. NO Chemistry: Interaction with water clusters, J. Finn, F. Baletto and A. Rubio
  12. Dynamical Coulomb blockade and the derivative discontinuity of time-dependent density functional theory,S. Kurth, G. Stefanucci, E. Khosravi, C. Verdozzi, and E.K.U. Gross
  13. Optical fingerprints of the stacking beetween guanine tetrads and porphyrin by Time Dependent Density Functional Theory, Leonardo Andrés Espinosa Leal, Daniele Varsano, Rosa di Felice and Ángel Rubio
  14. Octopus: a versatile tool for real­time TDDFT simulation of thousands of atoms, X. Andrade and J. Alberdi

• CECAM Workshop, Titania for all seasons: Multifunctionality of an undercover semiconductor
  Bremen, Germany September 6-10 (2010)
  1. Towards the optical properties of nano-TiO2 within ab-initio Many-Body techniques, A. Iacomino, L. Chiodo J. M. García-Lastra and A. Rubio

• ETSF Workshop 2010
  Berlin, Germany October 12-15 (2010)
  1. Unraveling the optical properties of TiO2 nanostructures from ab-initio Many-Body techniques, A. Iacomino, L. Chiodo J. M. García-Lastra and A. Rubio
  2. Metal-insulator transitions within the GW approximation, M. Gatti
  3. Excited-state properties of confined water permeating through nanochannels, Y. Pouillon and A. Rubio