Computational Chemistry on HPCx

(Wednesday 30th November - Friday 2nd December 2005)
CCLRC Daresbury Laboratory

* REGISTER HERE *   PROGRAMME

              

This course will provide an introduction to the computational chemistry software available on HPCx, with particular emphasis given to parallelisation strategies and the kinds of performance characteristics to be expected for particular classes of problem.

Codes discussed will include GAMESS-UK, DL_POLY 3, NWChem, NAMD and CHARMM, and there will be an opportunity to use HPCx during the hands on session.

A detailed schedule for the day is available here.

Places are strictly limited - to register please complete the registration form and return to Damian Jones...

Email: D.R.Jones@dl.ac.uk
Fax: +44 (0)1925 603634
Post: Damian Jones
CCLRC Daresbury Laboratory
Keckwick Lane
Daresbury
Warrington
WA4 4AD
UK

Coming to Daresbury
Accommodation

For information about the technical contact of the meeting please contact Dr Paul Sherwood.
For general information and administrative questions please contact Damian Jones.