DIRECTORS:

PURPOSE AND NATURE

This college aims at a general introduction to electronic structure calculations within Density Functional Theory and using the plane-wave pseudopotential method. The focus will be on the physical principles and numerical algorithms which underlie the implementation of state-of-the-art computer codes. The College will be opened by the "Eleventh International Workshop on Computational Condensed Matter Physics: Total Energy and Force Methods" which all the participants of the College are invited to attend. A series of theoretical lectures will then follow, aimed at illustrating how an electronic structure computer code is developed in practice. These lectures will be complemented by hands-on computer sessions where it will be demonstrated how a simple plane-wave pseudopotential computer code is developed, starting from scratch. Advanced topics such as first-principles molecular dynamics and the implementation of density-functional perturbation theory will also be covered. Finally, in the last part of the college, a state-of-the art open-source pseudopotential package (PWSCF) will be distributed to the participants and a series of tutorials will be held to illustrate its usage with a number of currently significant applications.

PARTICIPATION

Students and young scientists from all countries that are members of the UN, UNESCO or IAEA can apply to participate in the College. This college is specially targeted to strongly motivated graduate students and young post-doctoral scientists. Prior specific training in electronic structure calculations is not strictly required. However, participants are expected to have a good working knowledge of elementary quantum mechanics and solid state physics. Some knowledge of FORTRAN-90 and UNIX is a prerequisite. As the College will be conducted in English, participants should have an adequate working knowledge of that language. There is no participation fee, however, participants from developed countries are expected to cover their own travel and living expenses. A limited number of grants to support the participation of young Italian scientists will be provided by the INFM DEMOCRITOS National Simulation Center. Financial support has also been obtained from the European Community to promote participation of young European Community or Associated Nation researchers to the "Eleventh International Workshop on Computational Condensed Matter Physics: Total Energy and Force Methods" which opens the present activity. Prospective participants wishing to apply for such support must make an explicitly mention in their application form. Those wishing to participate should complete the request for participation form and return it to the secretary of the college, Ms. Gabriella De Meo, at the address: smr1492@ictp.trieste.it. Although there is no formal deadline for applications from scientists who do not require a visa, the number of positions available is limited, and applications will be processed on a first-come first-served basis.

Preliminary List of Lecturers

• All the speakers of the "XI International Workshop on Computational Condensed Matter Physics: Total Energy and Force Methods"
• Stefano Baroni, SISSA and DEMOCRITOS-INFM, Trieste, and INFM, Modena and Trieste, Italy.
• Claudia Bungaro, Rutgers University, New Brunswick, USA.
• Carlo Cavazzoni, CINECA, Bologna and DEMOCRITOS-INFM, Trieste, Italy.
• Andrea Dal Corso, SISSA and DEMOCRITOS-INFM, Trieste, Italy.
• Stefano de Gironcoli, SISSA and DEMOCRITOS-INFM, Trieste, Italy.
• Stefano Fabris, MPI, Stuttgart, Germany.
• Paolo Giannozzi, SNS, Pisa and DEMOCRITOS-INFM, Trieste, Italy.
• Anton Kokalj, Stefan Josef Institut, Ljubljana, Slovenjia and DEMOCRITOS-INFM.
• Nicola Marzari, MIT, Boston, USA.
• Giorgio Pastore, University of Trieste and DEMOCRITOS-INFM, Italy.
• Marco Saitta, Université Pierre et Marie Curie, Paris, France.
  
  
  
  

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