"Catalysis from first principles"
Universitat Wien, February 21-23, 2002
sponsored by
'Psik-ESF Network Research Center and Science College "Computational Materials Science" Institut fur Materialphysik, Univ. Wien Groupement.de Recherche "Ab-initio MD applied to Catalysis" (CNRS and Institut Franqais du Petrole) Center for Atomic Scale Materials Physics, DTU Fritz-Haber-Institut der MPG
Scientific committee:
Rzrgen Hafner
Jens Nprskov
Matthias Schefer
Workshop secretariate
Andreas Eichler
Tina Branis
The aim of these meetings is to review the status of ab-initio total-energy calculations as a basis for the modelling and understanding of chemical reactions on solid surfaces at a microscopic level. Particular emphasis is laid on the prospect of ab-initio simulations for finding and designing new catalysts. A further objective of the workshop is to confront theoreticians with the challenges arising from new-experimental results and from practical applications in industry.
The 3rd workshop in this series attracted about 60 researchers from academic and industry who presented 38 oral contributions and 18 poster contributions. In view of the success of these meetings, the scientific committee decided to continue the series in a two-year rhythm, the next workshop will be organized in 2004 by Jens Nprskov - hopefully within the renewed Psik-Research programme.
More details may be found in newsletter 50 from page 69