12-16 April 2010
Uppsala University
Europe/Stockholm timezone

Session

Computational Chemistry

Apr 13, 2010, 11:00 AM
Uppsala University

Uppsala University

Description

The EGEE series of projects brought computational chemistry on a grid to a new level: from a small group of users to a second resource consumer just after High Energy Physics. Chemical applications on EGEE Grid cover a wide area ranging from quantum dynamics computations for small molecular systems through ab initio simulations up to molecular dynamics studies of huge molecular systems of biological and industrial importance.

The User Forum is an annual EGEE conference whose unique character descends from the fact that grid users can meet together with developers. This year dedicated oral talks and accompanying posters detail not only current development on the EGEE grid of the computational chemistry domain traditional subjects. Large part of the conference session is instead devoted to the rapid evolution of computational chemistry tools to the quickly approaching EGI era. Typical examples of this are web services enabling easy use of chemical software on the Grid or implementation of new techniques enabling computation of various energy derivatives – crucial for determination of many molecular properties.

Presentation materials

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Dr Stefano Cozzini (CNR-INFM Democritos and ICTP)
4/13/10, 12:00 PM
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