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XI INTERNATIONAL WORKSHOP
ON COMPUTATIONAL PHYSICS AND MATERIALS SCIENCE
TOTAL ENERGY AND FORCE METHODS

16-18 January 2003

Miramare, Trieste, Italy



This Workshop will follow the series started in Oxford (1983) and continued in Braunschweig (1984) and in Trieste (1987, 1989, 1991, 1993, 1995, 1997, 1999, and 2001). Following the tradition of the previous meetings, the Workshop will be devoted to recent advances in computational condensed matter physics, based on realistic calculations of the electronic structure of polyatomic systems.

The activity is hosted at the Abdus Salam International Centre for Theoretical Physics (ICTP), Trieste, Italy, and is co-sponsored by the ICTP, the DEMOCRITOS National Simulation Center of the Italian Istituto Nazionale per la Fisica della Materia, and the International School for Advanced Studies (SISSA). Thanks to sponsorship from the European Community, under the High-level Scientific Conferences programme, a limited number of participation grants are available for young European or Associated Nation participants.

The list of topics to be treated will include:

  • Density-functional molecular dynamics
  • Large-scale electronic structure calculations
  • Linear-scaling methods
  • Density-functional theory beyond the local-density approximation
  • Quantum Monte Carlo
  • Many-body techniques for real materials
  • Empirical tight-binding and effective medium theory
  • Multiple time and length scales in computer simulations
  • Applications to:
    • Transition states and rates
    • Chemical reactions in condensed phases
    • Non-equilibrium and non-adiabatic processes
    • Electron dynamics and excited states
    • Electric polarization, fields, and currents
    • Surfaces and other low-dimensional systems
    • Phase transitions
    • New materials
    • Catalysis
    • Geophysics
    • Magnetism
    • Nanoscience
    • Biomolecular materials

As in previous events of this series, the Workshop will consist of invited talks with ample space devoted to discussion. There will also be one poster session. The current version of the programme with a list of invited speakers is available on the web at URL: http://www.democritos.it/totalenergy


CALL FOR CONTRIBUTED POSTERS Abstracts must be submitted to the Workshop Secretary, at the address indicated below. The deadline for contributed papers is 1 December 2002. The recommended format for the abstracts (including title, authors and abridged institutions) is 16 cm (wide) by 11 cm (high). (please save and send file attachments in RTF or PDF format)

The poster boards are mt. 1.50 wide and 1.30 high. We have 96 poster boards: we shall allocate only one of them per participant. Those wishing to contribute with more than one poster must display them on a single board.

PARTICIPATION / REGISTRATION Participation is open to all scientists from member countries of the United Nations, UNESCO or IAEA. Registration is cost free. As the activity will be conducted in English, participants should have an adequate working knowledge of this language. All those interested in attending should complete and return the Registration Form, which may be found at the back of the Workshop Announcement, by 15 November 2002 (late registrations will be accepted until 5 December 2002 only via e-mail or fax), to:

the Abdus Salam International Centre for Theoretical Physics
Eleventh International Workshop on Computational Material Science - smr:1491
Attention: Ms Valerie Shaw
Strada Costiera, 11
I-34100 Trieste, Italy

More information and a WEB Application Form may be accessed on: http://www.democritos.it/totalenergy/
or http://agenda.ictp.trieste.it/smr.php?1491

Telephone: +39 - 040 - 2240541 Telefax: +39 - 040 - 224163 E-Mail: smr1491@ictp.trieste.it



Organizing Committee

Richard M. Martin
Department of Physics,
University of Illinois,
1110 W. Green St., Urbana, IL 61801,
U.S.A.
email: rmartin@uiuc.edu

Michael W. Finnis
Atomistic Simulation Group,
School of Mathematics & Physics,
Queen's University Belfast, BT7 1NN
United Kingdom
email: m.finnis@qub.ac.uk

Stefano Baroni
SISSA and DEMOCRITOS,
Via Beirut 2-4, 34014 Trieste,
Italy
email: baroni@democritos.it


Scientific Committee

A. Baldereschi
(EPFL, Lausanne, Switzerland)

S. Baroni
(SISSA and DEMOCRITOS, Trieste, Italy)

M. Gillan
(University College of London, London, UK)

K. Kunc
(CNRS, University P. and M. Curie,
Paris, France)

S. Louie
(University of California - Berkeley, USA)

R. M. Martin
(University of Illinois Urbana, USA)

M. Methfessel
(Institut für Semiconductor Physics,
Frankfurt-Oder, Germany)

R. Needs
(Cambridge University, Cambridge, UK)

P. Ordejon
(ICMAB-CSIC, Barcelona, Spain)

M. Parrinello
(Max Planck Institut für Festkorperforchung,
Stuttgart, Germany)

K. Terakura
(NAIR, Tsukuba, Japan)

D. Vanderbilt
(Rutgers University, New Brunswick, USA)

E. Wimmer
(Molecular Simulations International,
Paris, France)





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