Université Paul Sabatier - Bat. 3R1b4 - 118 route de Narbonne 31062 Toulouse Cedex 09, France


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Accueil > Présentation

Common Services

Administration

- Joly Fanny, Secretary

Phone : +33(0)5 61 55 68 34
Mail : Fanny.Joly[AT]irsamc.ups-tlse.fr


Computer Unit

- Sanchez David, Engineer

Phone : +33(0)5 61 55 63 97
Mail : David.Sanchez[AT]irsamc.ups-tlse.fr

- Colledani Eric, Assistant Engineer

Phone : +33(0)5 61 55 63 97
Mail : Eric.Colledani[AT]irsamc.ups-tlse.fr


Cross-Cutting Activity : Software Development and Optimization

- Scemama Anthony, Research Engineer

Phone : +33(0)5 61 55 60 33
Mail : Scemama[AT]irsamc.ups-tlse.fr

The GMO group works together with the LCPQ’s informatics engineers to develop scientific software. One of the objectives is the valorization of locally-developed programs in order to spread them nationally and internationally. Code valorization mostly implies their optimization and adaptation to different architectures (scalar or parallel), setting up quality and performance tests, interfacing with major international theoretical chemistry codes, and developing graphic tools. The LCPQ is strongly involved in the European consortium COST D37, which aims at interfacing various theoretical chemistry codes, defining ’universal’ data formats, sharing codes and structuring their networks.

Following this link will take you to the portal describing the various quantum chemistry codes developed at the LCPQ.