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Category: List of Bases 2007 2007 ICTP activities in Trieste ICTP activities in Trieste
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lecture

Cosponsor(s):

SISSA, INFM DEMOCRITOS National Simulation Centerand ESF/Psi-K Network

Start Time:

11 January 2007 at 08:30

Ends On:

13 January 2007

Location:

Trieste - Italy

Venue:

MB (Main Lecture Hall)

Organizer(s):

Directors: N. Marzari, P.J. Ordejon, S. Scandolo

Description:

IF POSSIBLE, YOU ARE ENCOURAGED TO REGISTER ON
WEDNESDAY, 10 JANUARY 2007
in ROOM 231, second floor, ICTP MAIN BUILDING

====================================================

from 08.30 - 09.15 am on THURSDAY, 11 JANUARY 2007
REGISTRATION / ADMINISTRATIVE FORMALITIES
Reception area of the Main Building

(subsequently: during every coffee break in reception)

Material:

THURSDAY, 11 JANUARY 2007

Room: Main Building, Lobby

11 January 2007
09:15
09:30
OPENING - Professor Katepalli R. SREENIVASAN - Director
15'
Room: Main Building Main Lecture Hall
09:30
10:30
Harnessing quantum fluctuations: design, physics and nanomechanics of Casimir-Lifshitz forces and QED torques
01h00'
Federico CAPASSO
Harvard University, Cambridge, USA
Room: Main Building Main Lecture Hall
Keynote talk in honor of Alfonso BALDERESCHI's 60th Birthday

Chairperson: M. PERESSI
10:30
11:00
Coffee Break + Registration in reception
30'
SESSION 1: Electrons and Phonons - Chairperson: E. TOSATTI

Room: Main Building Main Lecture Hall

11 January 2007
11:00
11:30
Non-adiabatic vibrations in doped graphene
30'
Francesco MAURI
Université Pierre et Marie Curie, Paris, France
11:30
12:00
Pressure Induced Complexity in Light Alkalies
30'
Aitor BERGARA
Universidad del Pais Vasco, Bilbao, Spain
12:00
12:30
Vibronic effects in electron transport through atomic and molecular systems
30'
Nicolas LORENTE
Universite Paul Sabatier, Toulouse, France
12:30
12:50
Electron-Phonon interaction with electron and lattice Wannier functions and superconductivity in Boron-doped diamond
20'
Feliciano GIUSTINO
University of California @ Berkeley, USA
12:50
14:30
Lunch Break
01h40'
Room: Main Building Cafeteria
SESSION 2: Dispersion Forces in Density-Functional Theory - Chairperson: G. SCOLES

Room: Main Building Main Lecture Hall

11 January 2007
14:30
15:00
Promising path to DFT for sparse matter - a functional with Van der Waals interactions
30'
Bengt LUNDQVIST
Chalmers University of Technology, Gothenburg, Sweden
15:00
15:30
Many-body and time-dpendent DFT methods to evaluate electron total energies
30'
Pablo GARCIA-GONZALEZ
UNED, Madrid, Spain
15:30
15:50
van der Waals coefficients in DFT: a simple approximation for the polarizability
20'
Stefano de GIRONCOLI
SISSA & DEMOCRITOS National Simulation Center
15:50
16:20
Coffee Break + Registration in reception
30'
Room: Main Building, Lobby
SESSION 3: Excitations: GW and Bethe-Salpeter - Chairperson: L. REINING

Room: Main Building Main Lecture Hall

11 January 2007
16:20
16:50
Self-consistent GW electronic structure of solids
30'
Fabien BRUNEVAL
Ecole Polytechnique, Palaiseau, France
16:50
17:20
Exact-exchange based quasiparticle energy calculations applied to (transition) metal nitrides: ScN and InN
30'
Patrick RINKE
Fritz-Haber-Institut, Berlin, Germany
17:20
17:40
Fast GW calculations using ultra-localized Wannier functions
20'
Paolo UMARI
SISSA & DEMOCRITOS National Simulation Center
17:40
19:00
POSTER SESSION I
01h20'
Poster Gallery (behind Main Lecture Hall)
as well as,
Lecture Room C (terrace level)
FRIDAY, 12 JANUARY 2007

Room: Main Building Main Lecture Hall

12 January 2007
09:00
10:00
von Neumann Lattices and Wannier Functions
01h00'
Joshua ZAK
Technion, Haifa, Israel
Keynote talk in honor of Raffaele RESTA's 60th Birthday

Chairperson: D. VANDERBILT
SESSION 4: Polarization and Magnetization - Chairperson: X. GONZE

Room: Main Building Main Lecture Hall

12 January 2007
10:00
10:30
Orbital magnetization in periodic solids and its connection to NMR
30'
Timo THONHAUSER
Rutgers University, Piscataway and MIT, Cambridge, USA
10:30
11:00
Geometric phases, distribution of electron charge centers, Wannier functions and bonding in materials
30'
Umesh WAGHMARE
JNCASR, Bangalore, India
11:00
11:30
Coffee Break + Registration in room 231, second floor
30'
Room: Main Building, Lobby
SESSION 5: Time-Dependent Density-Functional Theory - Chairperson: R. GEBAUER

Room: Main Building Main Lecture Hall

12 January 2007
11:30
12:00
Time-dependent density functional theory: An overview
30'
Kieron BURKE
University of California, Irvine, USA
12:00
12:30
Turbocharging TDDFT using Lanczos chains
30'
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
30'
Ilya TOKATLY
Moscow Instit. of Electronic Tech., Russia / Universitat Erlangen-Numberg, Germany
13:00
14:30
Lunch Break
01h30'
Room: Main Building Cafeteria
SESSION 6: Spintronics - Chairperson: J. IHM

Room: Main Building Main Lecture Hall

12 January 2007
14:30
15:00
Spin-dependent all-electron tunneling through junctions
30'
Stefan BLUEGEL
KFA, Julich, Germany
15:00
15:30
Ab-initio study of Co2MnSi (001) surface and Co2MnSi/GaAs (001) interface
30'
Hadi AKBARZADEH
Isfahan University of Technology, Iran
15:30
16:00
Coffee Break + Registration in room 231, second floor
30'
Room: Main Building, Lobby
SESSION 7: Surfaces, Interfaces and Clusters - Chairperson: J.M. SOLER

Room: Main Building Main Lecture Hall

12 January 2007
16:00
16:30
Defects on TiO2 surfaces
30'
Annabella SELLONI
Princeton University, USA
16:30
17:00
First-principles calculations of capacitors at finite bias potential
30'
Massimiliano STENGEL
University of California @ Santa Barbara, USA
17:00
17:30
Pressure Induced the Phase Transition in Nano-cluster and Nano-tubes
30'
Xin-gao GONG
Fudan University, Shanghai, China
SESSION 8: From Inorganic to Bio - Chairperson: J.J. KOHANOFF

Room: Main Building Main Lecture Hall

12 January 2007
17:30
18:00
Exploring Chemical Reactivity in Biological Systems with Hybrid QM/MM Methods
30'
Dario ESTRIN
University of Buenos Aires, Argentina
18:00
18:20
Car-Parrinello Molecular Dynamics Simulation Studies on Supercritical Carbon Dioxide
20'
Moumita SAHARAY
JNCASR, Bangalore, India
19:30
21:30
POSTER SESSION II - (with wine, ham and cheese)
02h00'

Poster Gallery (behind Main Lecture Hall)
as well as
Lecture Room C (terrace level)
SATURDAY, 13 JANUARY 2007 (Saturday)

Room: Main Building Main Lecture Hall

13 January 2007
08:30
09:00
BREAKFAST (coffee and pastries) outside Main Lecture Hall
30'
Room: Main Building, Lobby
09:00
10:00
The Evolution of the Pseudopotential Method for Computational Materials Science
01h00'
Marvin COHEN
University of California, Berkeley, USA
Keynote talk in honor of Roberto CAR's 60th Birthday

Chairperson: S. LOUIE
SESSION 9: Complexity in Phase Space - Chairperson: A. GARCIA (Saturday)

Room: Main Building Main Lecture Hall

13 January 2007
10:00
10:30
The first principle prediction of crystal structure by combining knowledge methods with first principles energy methods
30'
Gerbrand CEDER
MIT, Cambridge, USA
10:30
11:00
An efficient and accurate Car-Parrinello-like approach to Born-Oppenheimer molecular dynamics
30'
Thomas KUEHNE
ETH Zurich, Lugano, Switzerland
11:00
11:30
Mechanical properties of brittle solids studied with the "learn on the fly" hybrid MD scheme
30'
Alessandro De VITA
Universita di Trieste, Italy
11:30
12:00
Coffee Break + Registration in room 231, second floor
30'
Room: Main Building, Lobby
SESSION 10: Quantum Monte Carlo - Chairperson: M.J. GILLAN (Saturday)

Room: Main Building Main Lecture Hall

13 January 2007
12:00
12:30
Quantum Monte Carlo Simulations of Dense Hydrogen
30'
David CEPERLEY
University of Illinois @ Urbana-Champaign, USA
12:30
13:00
Equation of state and Raman frequency of diamond from quantum Monte Carlo
30'
Richard NEEDS
Cambridge University, UK
13:00
14:30
Lunch Break
01h30'
Room: Main Building Cafeteria
SESSION 11: Functional Materials - Chairperson: S. NARASIMHAN (Saturday)

Room: Main Building Main Lecture Hall

13 January 2007
14:30
15:00
Ab-initio theory of alloys: new possibilities for materials design
30'
Igor ABRIKOSOV
Linkoping University, Sweden
15:00
15:30
Simulations of Hydrogenated Amorphous Silicon
30'
David DRABOLD
Ohio University, Athens, USA
SESSION 12: Strong Correlations: SIC, LDA+U and DMFT - Chairperson: M. FABRIZIO (Saturday)

Room: Main Building Main Lecture Hall

13 January 2007
15:30
16:00
Electronic structure of strongly correlated systems with dynamical mean-field theory: status report and perspectives
30'
Antoine GEORGES
Ecole Polytechnique, Palaiseau, France
16:00
16:30
Charge ordering as alternative to Jahn-Teller distortion
30'
Igor MAZIN
Naval Research Laboratory, Washington, USA
16:30
17:00
Coffee Break + Registration in room 231, second floor
30'
Room: Main Building, Lobby
17:00
17:30
Electronic structure trends in transition metal oxides: the NMTO+DMFT approach
30'
Eva PAVARINI
IFF, Juelich, Germany
17:30
18:00
Self-interaction correlation calculations of f-electron materials
30'
Axel SVANE
University of Aarhus, Denmark
18:00
18:15
CONCLUDING REMARKS - Chairperson: R. MARTIN
15'
If you want to make a direct link from your Web page to this agenda, please use this URL:
http://cdsagenda5.ictp.trieste.it/full_display.php?ida=a06178
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