Scientific Calendar Event



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  • Thursday, 11 January 2007
    • 09:15 - 09:30 OPENING - Professor Katepalli R. SREENIVASAN - Director
      Location: Main Building Main Lecture Hall
      • 09:15 OPENING - Professor Katepalli R. SREENIVASAN - Director 15'
    • 09:30 - 10:30 Harnessing quantum fluctuations: design, physics and nanomechanics of Casimir-Lifshitz forces and QED torques
      Keynote talk in honor of Alfonso BALDERESCHI's 60th Birthday
      
      Chairperson:  M. PERESSI
      Location: Main Building Main Lecture Hall
      • 09:30 Harnessing quantum fluctuations: design, physics and nanomechanics of Casimir-Lifshitz forces and QED torques 1h0'
        Speaker: Federico CAPASSO (Harvard University, Cambridge, USA)
        Material: abstract
    • 10:30 - 11:00 Coffee Break + Registration in reception
      Location: Main Building, Lobby
      • 10:30 Coffee Break + Registration in reception 30'
    • 11:00 - 11:30 Non-adiabatic vibrations in doped graphene
      Location: Main Building Main Lecture Hall
      • 11:00 Non-adiabatic vibrations in doped graphene 30'
        Speaker: Francesco MAURI (Université Pierre et Marie Curie, Paris, France)
        Material: abstract lecture notes
    • 11:30 - 12:00 Pressure Induced Complexity in Light Alkalies
      Location: Main Building Main Lecture Hall
      • 11:30 Pressure Induced Complexity in Light Alkalies 30'
        Speaker: Aitor BERGARA (Universidad del Pais Vasco, Bilbao, Spain)
        Material: abstract lecture notes
    • 12:00 - 12:30 Vibronic effects in electron transport through atomic and molecular systems
      Location: Main Building Main Lecture Hall
      • 12:00 Vibronic effects in electron transport through atomic and molecular systems 30'
        Speaker: Nicolas LORENTE (Universite Paul Sabatier, Toulouse, France)
        Material: abstract
    • 12:30 - 12:50 Electron-Phonon interaction with electron and lattice Wannier functions and superconductivity in Boron-doped diamond
      Location: Main Building Main Lecture Hall
      • 12:30 Electron-Phonon interaction with electron and lattice Wannier functions and superconductivity in Boron-doped diamond 20'
        Speaker: Feliciano GIUSTINO (University of California @ Berkeley, USA)
        Material: abstract
    • 12:50 - 14:30 Lunch Break
      Location: Main Building Cafeteria
      • 12:50 Lunch Break 1h40'
    • 14:30 - 15:00 Promising path to DFT for sparse matter - a functional with Van der Waals interactions
      Location: Main Building Main Lecture Hall
      • 14:30 Promising path to DFT for sparse matter - a functional with Van der Waals interactions 30'
        Speaker: Bengt LUNDQVIST (Chalmers University of Technology, Gothenburg, Sweden)
        Material: abstract lecture notes
    • 15:00 - 15:30 Many-body and time-dpendent DFT methods to evaluate electron total energies
      Location: Main Building Main Lecture Hall
      • 15:00 Many-body and time-dpendent DFT methods to evaluate electron total energies 30'
        Speaker: Pablo GARCIA-GONZALEZ (UNED, Madrid, Spain)
        Material: abstract lecture notes
    • 15:30 - 15:50 van der Waals coefficients in DFT: a simple approximation for the polarizability
      Location: Main Building Main Lecture Hall
      • 15:30 van der Waals coefficients in DFT: a simple approximation for the polarizability 20'
        Speaker: Stefano de GIRONCOLI (SISSA & DEMOCRITOS National Simulation Center)
        Material: abstract lecture notes
    • 15:50 - 16:20 Coffee Break + Registration in reception
      Location: Main Building, Lobby
      • 15:50 Coffee Break + Registration in reception 30'
    • 16:20 - 16:50 Self-consistent GW electronic structure of solids
      Location: Main Building Main Lecture Hall
      • 16:20 Self-consistent GW electronic structure of solids 30'
        Speaker: Fabien BRUNEVAL (Ecole Polytechnique, Palaiseau, France)
        Material: abstract lecture notes
    • 16:50 - 17:20 Exact-exchange based quasiparticle energy calculations applied to (transition) metal nitrides: ScN and InN
      Location: Main Building Main Lecture Hall
      • 16:50 Exact-exchange based quasiparticle energy calculations applied to (transition) metal nitrides: ScN and InN 30'
        Speaker: Patrick RINKE (Fritz-Haber-Institut, Berlin, Germany)
        Material: abstract lecture notes
    • 17:20 - 17:40 Fast GW calculations using ultra-localized Wannier functions
      Location: Main Building Main Lecture Hall
      • 17:20 Fast GW calculations using ultra-localized Wannier functions 20'
        Speaker: Paolo UMARI (SISSA & DEMOCRITOS National Simulation Center)
        Material: abstract lecture notes
    • 17:40 - 19:00 POSTER SESSION I
      Poster Gallery (behind Main Lecture Hall)
      as well as, 
      Lecture Room C (terrace level)
      Location: Main Building Main Lecture Hall
      • 17:40 POSTER SESSION I 1h20'
  • Friday, 12 January 2007
    • 09:00 - 10:00 von Neumann Lattices and Wannier Functions
      Keynote talk in honor of Raffaele RESTA's 60th Birthday 
      
      Chairperson:  D. VANDERBILT
      Location: Main Building Main Lecture Hall
      • 09:00 von Neumann Lattices and Wannier Functions 1h0'
        Speaker: Joshua ZAK (Technion, Haifa, Israel)
        Material: abstract lecture notes
    • 10:00 - 10:30 Orbital magnetization in periodic solids and its connection to NMR
      Location: Main Building Main Lecture Hall
      • 10:00 Orbital magnetization in periodic solids and its connection to NMR 30'
        Speaker: Timo THONHAUSER (Rutgers University, Piscataway and MIT, Cambridge, USA)
        Material: abstract lecture notes
    • 10:30 - 11:00 Geometric phases, distribution of electron charge centers, Wannier functions and bonding in materials
      Location: Main Building Main Lecture Hall
      • 10:30 Geometric phases, distribution of electron charge centers, Wannier functions and bonding in materials 30'
        Speaker: Umesh WAGHMARE (JNCASR, Bangalore, India)
        Material: abstract lecture notes
    • 11:00 - 11:30 Coffee Break + Registration in room 231, second floor
      Location: Main Building, Lobby
      • 11:00 Coffee Break + Registration in room 231, second floor 30'
    • 11:30 - 12:00 Time-dependent density functional theory: An overview
      Location: Main Building Main Lecture Hall
      • 11:30 Time-dependent density functional theory: An overview 30'
        Speaker: Kieron BURKE (University of California, Irvine, USA)
        Material: abstract lecture notes
    • 12:00 - 12:30 Turbocharging TDDFT using Lanczos chains
      Location: Main Building Main Lecture Hall
      • 12:00 Turbocharging TDDFT using Lanczos chains 30'
        Speaker: Stefano BARONI (SISSA & DEMOCRITOS National Simulation Center)
    • 12:30 - 13:00 Quantum mechanics in a commoving frame: An emergence of time-dependent deformation functional theory
      Location: Main Building Main Lecture Hall
      • 12:30 Quantum mechanics in a commoving frame: An emergence of time-dependent deformation functional theory 30'
        Speaker: Ilya TOKATLY (Moscow Instit. of Electronic Tech., Russia / Universitat Erlangen-Numberg, Germany)
        Material: abstract
    • 13:00 - 14:30 Lunch Break
      Location: Main Building Cafeteria
      • 13:00 Lunch Break 1h30'
    • 14:30 - 15:00 Spin-dependent all-electron tunneling through junctions
      Location: Main Building Main Lecture Hall
      • 14:30 Spin-dependent all-electron tunneling through junctions 30'
        Speaker: Stefan BLUEGEL (KFA, Julich, Germany)
        Material: abstract
    • 15:00 - 15:30 Ab-initio study of Co2MnSi (001) surface and Co2MnSi/GaAs (001) interface
      Location: Main Building Main Lecture Hall
      • 15:00 Ab-initio study of Co2MnSi (001) surface and Co2MnSi/GaAs (001) interface 30'
        Speaker: Hadi AKBARZADEH (Isfahan University of Technology, Iran)
        Material: abstract lecture notes
    • 15:30 - 16:00 Coffee Break + Registration in room 231, second floor
      Location: Main Building, Lobby
      • 15:30 Coffee Break + Registration in room 231, second floor 30'
    • 16:00 - 16:30 Defects on TiO2 surfaces
      Location: Main Building Main Lecture Hall
      • 16:00 Defects on TiO2 surfaces 30'
        Speaker: Annabella SELLONI (Princeton University, USA)
        Material: abstract
    • 16:30 - 17:00 First-principles calculations of capacitors at finite bias potential
      Location: Main Building Main Lecture Hall
      • 16:30 First-principles calculations of capacitors at finite bias potential 30'
        Speaker: Massimiliano STENGEL (University of California @ Santa Barbara, USA)
        Material: abstract lecture notes
    • 17:00 - 17:30 Pressure Induced the Phase Transition in Nano-cluster and Nano-tubes
      Location: Main Building Main Lecture Hall
      • 17:00 Pressure Induced the Phase Transition in Nano-cluster and Nano-tubes 30'
        Speaker: Xin-gao GONG (Fudan University, Shanghai, China)
        Material: abstract lecture notes
    • 17:30 - 18:00 Exploring Chemical Reactivity in Biological Systems with Hybrid QM/MM Methods
      Location: Main Building Main Lecture Hall
      • 17:30 Exploring Chemical Reactivity in Biological Systems with Hybrid QM/MM Methods 30'
        Speaker: Dario ESTRIN (University of Buenos Aires, Argentina)
        Material: abstract lecture notes
    • 18:00 - 18:20 Car-Parrinello Molecular Dynamics Simulation Studies on Supercritical Carbon Dioxide
      Location: Main Building Main Lecture Hall
      • 18:00 Car-Parrinello Molecular Dynamics Simulation Studies on Supercritical Carbon Dioxide 20'
        Speaker: Moumita SAHARAY (JNCASR, Bangalore, India)
        Material: lecture notes
    • 19:30 - 21:30 POSTER SESSION II - (with wine, ham and cheese)
      Poster Gallery (behind Main Lecture Hall)
      as well as
      Lecture Room C (terrace level)
      Location: Main Building Main Lecture Hall
      • 19:30 POSTER SESSION II - (with wine, ham and cheese) 2h0'
  • Saturday, 13 January 2007
    • 08:30 - 09:00 BREAKFAST (coffee and pastries) outside Main Lecture Hall
      Location: Main Building, Lobby
      • 08:30 BREAKFAST (coffee and pastries) outside Main Lecture Hall 30'
    • 09:00 - 10:00 The Evolution of the Pseudopotential Method for Computational Materials Science
      Keynote talk in honor of Roberto CAR's 60th Birthday
      
      Chairperson: S. LOUIE
      Location: Main Building Main Lecture Hall
      • 09:00 The Evolution of the Pseudopotential Method for Computational Materials Science 1h0'
        Speaker: Marvin COHEN (University of California, Berkeley, USA)
        Material: abstract
    • 10:00 - 10:30 The first principle prediction of crystal structure by combining knowledge methods with first principles energy methods
      Location: Main Building Main Lecture Hall
      • 10:00 The first principle prediction of crystal structure by combining knowledge methods with first principles energy methods 30'
        Speaker: Gerbrand CEDER (MIT, Cambridge, USA)
        Material: abstract
    • 10:30 - 11:00 An efficient and accurate Car-Parrinello-like approach to Born-Oppenheimer molecular dynamics
      Location: Main Building Main Lecture Hall
      • 10:30 An efficient and accurate Car-Parrinello-like approach to Born-Oppenheimer molecular dynamics 30'
        Speaker: Thomas KUEHNE (ETH Zurich, Lugano, Switzerland)
        Material: abstract
    • 11:00 - 11:30 Mechanical properties of brittle solids studied with the "learn on the fly" hybrid MD scheme
      Location: Main Building Main Lecture Hall
      • 11:00 Mechanical properties of brittle solids studied with the "learn on the fly" hybrid MD scheme 30'
        Speaker: Alessandro De VITA (Universita di Trieste, Italy)
        Material: abstract
    • 11:30 - 12:00 Coffee Break + Registration in room 231, second floor
      Location: Main Building, Lobby
      • 11:30 Coffee Break + Registration in room 231, second floor 30'
    • 12:00 - 12:30 Quantum Monte Carlo Simulations of Dense Hydrogen
      Location: Main Building Main Lecture Hall
      • 12:00 Quantum Monte Carlo Simulations of Dense Hydrogen 30'
        Speaker: David CEPERLEY (University of Illinois @ Urbana-Champaign, USA)
        Material: abstract
    • 12:30 - 13:00 Equation of state and Raman frequency of diamond from quantum Monte Carlo
      Location: Main Building Main Lecture Hall
      • 12:30 Equation of state and Raman frequency of diamond from quantum Monte Carlo 30'
        Speaker: Richard NEEDS (Cambridge University, UK)
        Material: abstract lecture notes
    • 13:00 - 14:30 Lunch Break
      Location: Main Building Cafeteria
      • 13:00 Lunch Break 1h30'
    • 14:30 - 15:00 Ab-initio theory of alloys: new possibilities for materials design
      Location: Main Building Main Lecture Hall
      • 14:30 Ab-initio theory of alloys: new possibilities for materials design 30'
        Speaker: Igor ABRIKOSOV (Linkoping University, Sweden)
        Material: abstract lecture notes
    • 15:00 - 15:30 Simulations of Hydrogenated Amorphous Silicon
      Location: Main Building Main Lecture Hall
      • 15:00 Simulations of Hydrogenated Amorphous Silicon 30'
        Speaker: David DRABOLD (Ohio University, Athens, USA)
        Material: abstract lecture notes
    • 15:30 - 16:00 Electronic structure of strongly correlated systems with dynamical mean-field theory: status report and perspectives
      Location: Main Building Main Lecture Hall
      • 15:30 Electronic structure of strongly correlated systems with dynamical mean-field theory: status report and perspectives 30'
        Speaker: Antoine GEORGES (Ecole Polytechnique, Palaiseau, France)
        Material: lecture notes
    • 16:00 - 16:30 Charge ordering as alternative to Jahn-Teller distortion
      Location: Main Building Main Lecture Hall
      • 16:00 Charge ordering as alternative to Jahn-Teller distortion 30'
        Speaker: Igor MAZIN (Naval Research Laboratory, Washington, USA)
        Material: abstract lecture notes
    • 16:30 - 17:00 Coffee Break + Registration in room 231, second floor
      Location: Main Building, Lobby
      • 16:30 Coffee Break + Registration in room 231, second floor 30'
    • 17:00 - 17:30 Electronic structure trends in transition metal oxides: the NMTO+DMFT approach
      Location: Main Building Main Lecture Hall
      • 17:00 Electronic structure trends in transition metal oxides: the NMTO+DMFT approach 30'
        Speaker: Eva PAVARINI (IFF, Juelich, Germany)
        Material: abstract
    • 17:30 - 18:00 Self-interaction correlation calculations of f-electron materials
      Location: Main Building Main Lecture Hall
      • 17:30 Self-interaction correlation calculations of f-electron materials 30'
        Speaker: Axel SVANE (University of Aarhus, Denmark)
        Material: abstract lecture notes
    • 18:00 - 18:15 CONCLUDING REMARKS - Chairperson: R. MARTIN
      Location: Main Building Main Lecture Hall
      • 18:00 CONCLUDING REMARKS - Chairperson: R. MARTIN 15'