META-LOCA-CHEM

COST-D23  Working Group-D23-0006
A meta-laboratory for code integration in ab-initio methods

COST-D26  Working Group-D26-0003
A Local Approach for Quasi-Degenerate Systems

Photo-1(juniperus)
 Old "sabina" tree (Juniperus  Thurifera Lineii) in the Gudar Mountains (Teruel, Spain)
  


 Welcome
This page is intended to provide an exchange tool between the scientists of the research groups working in the COST-D23 and COST-D26 Working Groups mentioned above.  As you can see in the tables below, some of the research groups participates in both WG.
  

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D23


Keywords: localized orbitals, electronic correlation, multi-reference methods, meta-systems, computational grids.


D23-meta-lab-WG  contact persons
Name Institution e-mail
Elda Rossi (Coordinator)
CINECA -Bolonia (Italy)
Renzo Cimiraglia
Università degli Studi di Ferrara (Italy)
Daniel Maynau
IRSAMC-Toulouse (France)
José Sanchez-Marin
ICMOL-Universitat de Valencia (Spain)
Peter Szalay
Eötvös Loránd University-Budapest (Hongary)
Rosa Caballol
Universitat Rovira i Virgili-Tarragona(Spain)

This WG has a  web site managed by Elda Rossi.  Press here to access the AbiGrid page. You can also access the TWiki.COSTdev. web site for AbiGrid developers.
more info...


D26

Keywords: embedding, DFT, QM/QM', orbital-free kinetic energy, materials, electrochemistry, molecular dynamics.

D26-Local-app-WG contact persons
Name
Institution
e-mail
Stefano Evangelisti (Coordinator)
IRSAMC-Toulouse (France)
stefano@irsamc.ups-tlse.fr
Renzo Cimiraglia
Università degli Studi di Ferrara (Italy)
cim@unife.it
José Sanchez-Marin
ICMOL-Universitat de Valencia (Spain)
jose.sanchez@uv.es
Michael Robb Imperial College-London (UK) Mike.Robb@KC.ac.uk
Massimo Olivucci Università di Siena e MURST (Italy) olivucci@unisi.it
Nadia Ben Amor Université Louis Pasteur-Strasbourg (France) benamor@quantix.u-strasbg.fr

more info...


Distributions

The  distribution  items appearing in this section have been remited by the developpers of each code. The  
compression, formatting, etc. has been chosen by them. Please, contact with each code developper for all
questions concerning intallation and other tecnical details.

****We place here the links to each distribution kit or each Application URL according to the wishes of each group

distribution kit for PROP         (See also the readme-first text file.  )

distribution kit for CASDI and related programs    (Toulouse, Fr.)

 A distribution kit for the FCI program from Bolonia is under preparation.  It cannot be loaded at present.
If you are interested in it, send a e-mail to jose.sanchez@uv.es


Technical infos

Make files, compiling tricks and other technical announcements as they (can)  have been sent by any of us.


****Here will be placed the links to each text or other formats files as each researcher will send to us





The people in Valencia

If you have suggestions, information to be placed in this page or other question concerning the contents of this page, please contact us.
If you have questions concerning the activities of these COST Working Groups, please contact to the coordinators.

José Sánchez-Marín
e-mail: Jose.Sanchez@uv.es

José Miguel Junquera-Hernández
e-mail: Jose.M.Junquera@uv.es


Links

Universitat de València: http://www.uv.es

General Information of COST Chemistry: http://costchemistry.epfl.ch



Last revision: 25-Mar-2004