MADRID, June 29-July 2, 2010

Talks (20 mins + 5 mins questions)

• Jesús Aldegunde - Dep. de Quím. Fís., Univ. de Salamanca (Spain)
  "Hyperfine interactions in ultracold alkali dimers"
• Gabriel Amaral - Fac. Quím., UCM (Madrid, Spain)
  "VELOCITY MAP IMAGING in photodissociation of molecules: real time and energy resolved experiments"
• Malgorzata Biczysko - Univ. Napoli Federico II (Italy)
  "Non-covalent interactions in the gas phase: new insights from experimental and computational spectroscopy"
• Laurent Bonnet -Inst. Scien. Mol. - CNRS (Bordeaux, France)
  "Classical reactive scattering in a quantum spirit"
• George M. Bruun - Univ. of Copenhagen / Niels Bohr Inst. (Denmark)
  "Clock shifts in a Fermi gas interacting with a minority component: A soluble model"
• Silvia Cassasa - Dip. di Chimica, Univ. di Torino (Italy)
  "CRYSCOR, a computational tool for the study of electronic correlation in crystals: Features and applications"
• Raluca Cireasa - Univ. Toulouse (France)
  "Real time imaging of ultrafast molecular dynamics"
• Fabrice Dayou - Lab. d'Etude du Ray. Mat. Astrophys. / CNRS / Obs. Paris-Meudon (France)
  "Nonadiabatic dynamics on O₂+O₂ collisions"
• Darío de Fazio - CNR-IMIP, Roma (Italy)
  "The hyperquantization algorithm: perspective of ab-initio quantum reactive scattering calculations"
• Rebeca de Nalda - Inst. Quím. Fis. Rocasolano, CSIC (Madrid, Spain)
  "Molecular videos: watching chemical change with ultrashort lasers"
• Sergio Díaz Tendero - Dep. Química Física , Univ. Autónoma Madrid (Spain)
  "Interferences between resonances localized in metal nanostructures supported on metal surfaces"
• George Fanourgakis - IESL, FORTH (Greece)
  "A fast path integral method for polarizable force fields. Application to liquid water and ice"
• Sebastián Fernández Alberti - CONICET, Univ. Nacional de Quilmes (Argentina)
  "Excited state nonadiabatic molecular dynamics: energy funneling in light harvesting dendrimers"
• Jesús Fernández Castillo - Dep. Química Física , Univ. Complutense Madrid (Spain)
  "Ab initio potential energy surface and quasiclassical trajectory studies of the Cl+O₃ reaction"
• Nikitas Gidopoulos - Rutherford Appleton Laboratory, Oxon (UK)
  "Quantum mechanical description of vibrations in molecules and solids"
• Begoña González Landín - SIANI , Univ. de Las Palmas de Gran Canaria (Spain)
  "Genetic algorithms search methods and applications in molecular clusters"
• Leticia González - Friedrich Schiller Univ. (Jena, Germany)
  "Strong field effects in halomethanes"
• Eva González Noya - Inst. Quím. Fis. Rocasolano, CSIC (Madrid, Spain)
  "The stability of a crystal with diamond structure for patchy particles with tetrahedral symmetry"
• Pavel Jelinek - Inst. Phys. ASCR (Prague, Czech Republic)
  "Understanding of relation between chemical force and current at atomic scale"
• Apostolos Kalemos - University of Athens (Greece)
  "On the bonding interpretation of H₂SO₄, HNO₃, HClO₄ and O₃"
• Pascal Larrégaray - Inst. Scien. Mol. - CNRS (Bordeaux, France)
  "Rationalizing the S(¹D)+H₂ cold reaction dynamics using a simple semi-classical statistical model"
• Nektarios N. Lathiotakis - Theor. and Phys. Chem. Inst., NHRF (Athens, Greece)
  "Approximating electronic correlations with reduced density matrix functional"
• Celine Leonard - Lab. de Modél. Sim. Multi Echelle (France)
  "Theoretical study of the predissociation of the A ²P states of ZnF incorporing quasi-diabatisation of the spin-orbit coupling"
• Andrea Lombardi - Dip. di Chimica, Univ. Studi di Perugia (Italy)
  "Oriented collision dynamics of simple chiral molecules"
• José I. Martínez - Dep. Fis. Teor. Mat. Cond, UAM (Madrid, Spain)
  "Trends in metal oxide stability for nanorods, nanotubes and surfaces"
• Emilio Martínez Nuñez - Univ. Santiago de Compostela (Spain)
  "Chemical dynamics simulations of Ar, CO₂ and NO scattering from a perfluorinated self-assembled monolayer surface"
• Raúl Z. Martínez Torres - Inst. Estruct. Materia, CSIC (Madrid, Spain)
  "Simulated Raman spectroscopy for the study of collisional energy transfer: Determination of rotationalstate-to-state relaxation rates in acetylene"
• Belén Maté - Inst. Estruct. Materia, CSIC (Madrid, Spain)
  "A study of CH₄/H₂O ices by infrared spectroscopy"
• Alexander O. Mitrushchenkov - Lab. de Modél. Sim. Multi Echelle, Univ. Paris-Est Marne-la-Vallée (France)
  "Electric and elastic properties of wurtzite nanowires"
• Luis M. Molina - Dep. Fis. Teórica, Univ. Valladolid (Spain)
  "Ab initio studies of propene epoxidation at noble metal nanocatalysts"
• Aurora Nogales - Inst. Estruct. Materia, CSIC (Madrid, Spain)
  "Relaxation behaviour in nanorods and nanotubes of PVDF and PVDF based ferroelectric polymers"
• Patrick O'Keeffe - CNR-IMIP, Monterotondo Scalo, Rome (Italy)
  "Velocity map imaging of photoelectrons in a pump-probe experiments combinig synchrotron and laser radiation"
• José Ortega Mateo - Dep. de Fís. Teór. Mat. Cond., UAM (Madrid, Spain)
  "Analysis of the formation of metal/organic interfaces and nanocontacts using Density Functional Theory"
• Bernard Pons - CELIA (Bordeaux, France)
  "Self-consistent Bohmian description of laser-atom interactions"
• Cristina Puzzarini - Dip. di Chim. "G. Ciamician", Univ. di Bologna (Italy)
  "Molecular structure determination: A testing ground for high level quantum-chemical computations"
• Ismanuel Rabadan - UAM, (Madrid, Spain)
  "Isotope effects in ion-atom collisions"
• Javier Ramos - Inst. Estruct. Materia, CSIC (Madrid, Spain)
  "Simulation of folding processes of single-chain copolymers dilute solutions containing short chain branches"
• Mirta Rodriguez - Inst. Estruct. Materia, CSIC (Madrid, Spain)
  "Periodic driving of ultracold atoms in optical lattices"
• Nadja Sändig - Dip. Chim. "G. Ciamician", Univ. di Bologna (Italy)
  "Adsorption, motion and viscosity of organi molecules on gold"
• Ángel S. Sanz - Inst. Fís. Fund., CSIC (Madrid, Spain)
  "Bohmian mechanics: A novel tool to explore the physics and chemistry of atoms and molecules"
• Andrea Simoni - IPR/SIMPA-UMR (Rennes, France)
  "Ultracold atom-ion collisions: Landau quantization and scattering resonances"
• Ignacio Sola Reija - Dep. Química Física , Univ. Complutense Madrid (Spain)
  "Laser driven bond lenghts with parabolic chirped pulses"
• Stamatis Stamatiadis - Inst. Elect. Struct. and Laser, Found. for Res. and Techn.-Hellas, (Heraklion, Greece)
  "Automatic differentiation via operator overloading: A Fortran implementation"
• Vicente Timón - Estación Exp. de Zaidín (Granada, Spain)
  "Electronic bandstructure DFT analysis of metal cations substituted in phyllosilicates"

Oral Contributions (10 mins + 5 mins questions)

• Pedro Bargueño - Dep. Quím. Fis., Univ. Salamanca (Spain)
  "Subcritical temperature in Bose-Einstein condensates of chiral molecules"
• Manuel Lara - Fac. Quím., Univ. Complutense (Madrid, Spain)
  "Reaching the cold regime: S(¹D)+H₂ open shell reactive collisions and the role of long-range interactions"
• David López-Durán - IFF, CSIC (Madrid, Spain)
  "ASPIN: An all spin scattering code"
• Sergio López López- Theor. Chem. Dep., Univ. Munich (Germany)
  "High-dimensional system-bath quantum dynamics with selected-configurations wave functions"
• Juan S. Medina - IFF, CSIC (Madrid, Spain)
  "Molecular dynamics simulations of liquid water models: Temperature dependence of viscosities"
• Serge Monturet- Inst. Chem., Univ. Postdam (Germany)
  "Electronic structure and dynamics of the vibrational relaxation of NO molecules scattered oof a gold surface"
• James M. Oldham- Dep. Chem., Univ. Oxford (UK)
  "Cold state-selective ion-molecule reactions"
• Ricardo Pérez de Tudela- IFF, CSIC (Spain)
  "Path-integral Monte Carlo on atomic clusters"
• Cristina Sanz Sanz - School of Chem., Univ. Birmingham (UK)
  "Dinamic Stark control of the photodissociation of IBr molecule"
• Álvaro Valdés - Leiden Inst. Chem. (The Netherlands)
  "Translation-rotation energy levels of one H₂ molecule inside the small and medium cages of the structure H clathrate hydrate"
• Wesley Unn-Toc - Univ. Toulouse IRSAMC-CNRS (France)
  "Quantum dynamics at helium droplets"
• Yang Wang - Fac. Quím., Univ. Autónoma (Madrid, Spain)
  "Theoretical study on self-assembly of TCNQ adsorbed on Cu(100) surface"
• Alexandre Zanchet - IFF, CSIC (Madrid, Spain)
  "H₂ reactivity on gold clusters"

Posters (2 mins presentations)

• Enrique Abad - Dep. Fis. Mat. Cond., Univ. Autónoma (Madrid, Spain)
  "Barrier formation and charging energy for metal/organic interfaces. From the monolayer to the sinlge molecule limit: C₆₀/Au(111) and C₆H₆/Au(111)"
• José Ramón Álvarez Collado - Dep. Quim. Fis. Aplic., Univ. Autónoma (Madrid, Spain)
  "Efficient computational tools for calculating the quantum structure of large (1000-10000 electrons) un-localized macromolecular systems"
• Dominique Appaddo - Australian Synchrotron (Clayton, Australia)
  "Synchrotron THz absortion spectroscopy: A high-sensivity technique to investigate molecular spectra"
• Pedro Bargueño - Dep. Quím. Fis., Univ. Salamanca (Spain)
  "Subcritical temperature in Bose-Einstein condensates of chiral molecules"
• Patricia Barragán - IFF, CSIC (Madrid, Spain)
  "A global potential energy surface for H₃⁺: A DFT approach"
• Patricia Barragán - IFF, CSIC (Madrid, Spain)
  "A realistic DFT potential energy surface of H₅⁺ cluster"
• Massimiliano Bartolomei - IFF, CSIC (Madrid, Spain)
  "Theoretical studies for the O₂-N₂ intermolecular interaction: A new potential energy surface"
• Mª Pilar de Lara Castells - IFF, CSIC (Madrid, Spain)
  "Interaction of He with a rutile TiO₂(110) surface as a prototype case to include dynamical correlation in extended systems"
• A. Dorta-Urra - IFF, CSIC (Madrid, Spain)
  "Potential energy surface and reactive dynamics of Au₂+H₂"
• Alberto García-Vela - IFF, CSIC (Madrid, Spain)
  "Femtosecond velocity map imaging experiments and wave packet calculations of CH3I photodissociation in the A-band"
• Tomás González-Lezana - IFF, CSIC (Madrid, Spain)
  "New ab initio potential energy surfaces for the oxygen dimer"
• Lola González-Sánchez - Univ. Salamanca (Spain)
  "Stereodynamics and mechanism of the Cl+H₂ reaction"
• Yansel Omar Guerrero - PhLam, Univ. Lille1 (France)
  "Theoretical study of the HS(v',j'=1)+O₂(v''=0,j''=1) reaction"
• Marta I. Hernández - IFF, CSIC (Madrid, Spain)
  "A dynamical study of the O(¹D)+HCl reaction"
• Ramón Hernández Lamoneda - C. Invest. Quim., UAEMor (Cuernavaca, Mexico)
  "New ab initio potential energy surface and vibrational relaxation in NO(v)+NO collisions"
• Ramón Hernández Lamoneda - C. Invest. Quim., UAEMor (Cuernavaca, Mexico)
  "Competition between electronic and vibrational predissociation dynamics of the NeBr₂ van der Waals complex: A model study"
• Clara Illescas - Dep. Quim. Fis., Univ. Autónoma (Madrid, Spain)
  "Collisions of light ions with H₂O"
• David López Durán - IFF, CSIC (Madrid, Spain)
  "Quantum solvent states of (⁴He)_N-Cs₂(³S_u⁺),2<N<12 clusters"
• Maykel Márquez-Mijares - IFF, CSIC (Madrid, Spain)
  "A quantum-mechanical approach to study rovibrational spectra of molecular trimers"
• Aliezer Martínez-Mesa - Dep. Theor. Phys., Univ. Havana (Cuba)
  "Influence of quantum effects on the physisorption of molecular hydrogen in model carbon foams"
• Juan S. Medina - IFF, CSIC (Madrid, Spain)
  "Molecular dynamics simulations of liquid water models: Temperature dependence of viscosities"
• Jhon Pérez-Torres - Dep. Quim., Univ. Autónoma (Madrid, Spain)
  "Attosecond XUV-IR lase pump-probe spectroscopy in H₂/D₂"
• Rita Prosmiti - IFF, CSIC (Madrid, Spain)
  "High-accurate potential surfaces and dynamics for He-I₂"
• Ernesto Quintas Sánchez - ISM, Univ. Bordeaux-CNRS (France)
  "Eley-Rideal recombination of nitrogen on Tungsten(100)"
• Alejandro Rivero-Santamaría - Inst. Sup. Tec. Cien. Apl., Havana (Cuba)
  "Dynamical study of the O(¹D)+H₂(v_i=0,j_i=0)->OH(X²P,v_f,j_f) reaction using the Mean Potential Phase Space theory"
• Llinersy Uranga Piña - Phys. Fac., Univ. Havana (Cuba)
  "Quantum dynamics and ultrafast relaxation of photoexcited NO(A²S⁺ <- X²P) in cryogenic rare gas matrices"
• Luis Velilla - Dep. Quim. Fis. Aplic., Univ. Autónoma (Madrid, Spain)
  "Long range interaction inclusion in the HeH₂⁺ potential energy surface"
• Alexandre Zanchet - IFF, CSIC (Madrid, Spain)
  "H₂ reactivity on gold clusters"

 

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