Current Trends |
in Theoretical Chemistry VII
4-8 September 2016, Kraków, Poland
CTTC VII: PLGrid Workshop - Computational chemistry calculations in PLGrid Infrastructure
Date: 8 Sep 14:00-16:00
Venue: Computer room no 114, first floor, Faculty of Chemistry building, Ingardena 3.
The PLGrid Infrastructure provides Polish researches with powerful computational infrastructure which is based on HPC clusters located in five HPC centres, coordinated by Academic Computer Centre CYFRONET AGH. One of main groups of HPC users are computational chemists who tackle resources demanding scientific problems. During PLGrid workshop at CTTCVII participants are going to run computational chemistry simulations using various quantum chemistry packages (i.a. Gaussian, ADF, Turbomole, Jaguar, Molpro) on Prometheus, the most powerful polish supercomputer.
Workshop's materials can be downloaded using links: