Barcelona, July 9th, Seminar on ADF Applications

                 Seminar on ADF applications
                 ---------------------------
               CESCA - Barcelona, July 9th 1998
           (Centre for Supercomputation of Catalonia)
     This seminar is addressed to researchers and postgraduates who use
 Quantum Chemistry tools as a help to their current research, and want to
 have a closer look at the possibilities that the ADF program (Amsterdam
 Density Functional) offers as a DFT implementation.
  9:00- 9:50  Elementary concepts of chemical bonding and analysis tools
              in ADF
                   Prof. Evert J. Baerends (Vrije Universiteit, Amsterdam)
 10:00-10:30  Differences between DFT implementation in Gaussian and ADF
              (wavefunction, numerical integration, charge analysis)
                   Dr. Miquel Sola (UdG)
 10:30-11:00  Pause
 11:00-11:30  Metal-ligand bonding in mono- and dinuclear TM complexes
                   Prof. Evert J. Baerends (Vrije Universiteit, Amsterdam)
 11:30-12:00  Brief discussion on parallelization and propierty evaluation
                   Prof. Evert J. Baerends (Vrije Universiteit, Amsterdam)
 12:10-13:20  The experience of users (I)
                   Dr. Vicenc, Branchadell (UAB)
                   Dr. Miquel Sola (UdG)
 13:20-15:20  Lunch
 15:20-16:30  The experience of users (II)
                   Mr. Jordi Munyoz (URV)
                   Mr. Jordi Vazquez (UB)
 16:30-18:30  Implementation of ADF at CESCA: hands-on
                   Mrs. Alicia Martinez, Ms. Ingrid Barcena (CESCA)
 Where:    Conference Room
           CESCA ('Annexus' Building)
           Gran Capita s/n
           08034 Barcelona (Spain)
 Seats:    Limited to 40
 For more information please contact Ms. Clara Torreblanca
 (phone: 34-93-205 64 64, fax: 34-93-205 69 79, e-mail: clara-0at0-cesca.es) or
 consult the web page http://www.cesca.es/esp/formacion/congresos.html