Computational Chemistry Workshop

17 Dec 2008, 14:00 → 18 Dec 2008, 12:15 Europe/Zurich

University of Bologna

Antonio Lagana (Dipartimento di Chimica, Università di Perugia, perugia, Italy), Mariusz Sterzel (CERN)

Second EGEE Computational Chemistry Workshop brings together Grid users and developers working on chemical applications in Grid environment giving the unique opportunity to exchange the knowledge between users and developers and address current issues for Cluster activities during third part of EGEE project. The Workshop is part of COST meeting (December 18th to 19th 2008) aimed at discussing the possibility of transferring semantic representations of the quantum chemical information from electronic structure calculations to the domain of nuclei dynamics.

COST meeting places COST_Meeting_Rooms.pdf

Hotel information hotel.pdf

Wednesday 17 December

14:30 → 16:00 Computational Chemistry Cluster -- current status

16:00 → 16:30 Cofee break

16:30 → 18:00 Utilization of Grid infrastructure for scientific research conduction

Thursday 18 December

09:00 → 10:30 EGEE-III ---> EGI transition. Panel discussion

10:30 → 11:00 Cofee break

11:00 → 12:00 Future of Computational Chemistry Cluster -- Panel discussion

12:00 → 12:15 Workshop summary