Hi,

I received the following message from the CCL list, it might be interesting
for others.
Originally posted to CCL by: Alicia Martinez-Puebla <amartinez_at_cesca.es>

Regards,

Olivier.

------- Forwarded Message

                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_at_cesca.es) or
consult the web page http://www.cesca.es/esp/formacion/congresos.html

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Received on 1998-06-11 16:06:31