CECAM/Psi-k Workshop

Local orbitals and linear-scaling ab initio calculations

CECAM, Lyon, 3-7 September 2001

This workshop, jointly supported by CECAM and the ESF STRUC-Psi-k Programme, aims to bring together scientists from a wide variety of communities who use local-orbital techniques for electronic structure calculations and atomistic simulations, with a particular emphasis on linear-scaling methods. This follows on from the successful workshop on localized orbitals held at CECAM in 1998.

Programme

1. Atomic type orbitals
2. Gaussian type orbitals
3. Systematic basis sets
4. Linear-scaling methods
5. Linear-scaling applications and Wannier function analysis

Click here for more information about the scientific background to the workshop.

The final report is now available here.

Speakers

• Alberto Bert, Turin, Italy
• Jerry Bernholc, North Carolina State University, USA
• Matt Challacombe, LANL, USA
• Oswaldo Diéguez, Cambridge, UK
• Roberto Dovesi, Turin, Italy
• Mike Gillan, University College London, UK
• Stefan Goedecker, CEA Grenoble, France
• Martin Head-Gordon, UC Berkeley, USA
• Andrew Horsfield, FECIT, UK
• Jürg Hutter, U. Zürich, Switzerland
• Javier Junquera, Universidad Autónoma de Madrid, Spain
• Steven Kenny, Loughborough University, UK
• Richard Martin, UIUC, USA
• Pablo Ordejón, ICMAB-CSIC, Barcelona, Spain
• Peter Reinhardt, Université Paris VI, France
• Gustavo Scuseria, Rice, USA
• Gotthard Seifert, Paderborn, Germany
• Chris-Kriton Skylaris, Cambridge, UK
• Ivo Souza, Rutgers University, USA
• Phil Sterne, LLNL, USA
• Stan van Gisbergen, VU Amsterdam, The Netherlands
• Weitao Yang, Duke University, USA

Organizers

• Peter Haynes
  Theory of Condensed Matter, Cavendish Laboratory, Madingley Road, Cambridge CB3 0HE, UK
• David Bowler
  Department of Physics and Astronomy, University College, London WC1E 6BT, UK
• Emilio Artacho
  Dep. Física de la Materia Condensada, Universidad Autónoma de Madrid, C-III, 28049 Madrid, Spain