Logo of Science Foundation Ireland  Logo of the Higher Education Authority, Ireland7 Capacities
Ireland's High-Performance Computing Centre | ICHEC
Home | News | Infrastructure | Outreach | Services | Research | Support | Education & Training | Consultancy | About Us | Login

Workshop: Theory and Practical Use of Quantum ESPRESSO

We would like to thank all those involved in the workshop - the sponsors, speakers, guests and participants. Please fill out our Workshop Feedback Form to help improve future workshops and events.

Date: 14th - 18th June 2010 Tyndall National Institute
Location: Conference Room, Tyndall National Institute, Lee Maltings Complex, Cork, Ireland.
[ directions ]
Organisers: Mr. Ivan Girotto (ICHEC)
Dr. Andreas Larsson (Tyndall)
Dr. Layla Martin Samos (Democritos)
Programme: See Workshop Programme
    Science Foundation Ireland
Registration: Closed.
Registration Fee: €40 for students; €70 for everyone else.
Registration Deadline: 16th May 2010.
Accommodation: List of hotels/guest houses near Tyndall
   [ Please note that registrants are responsible for all costs involved: registration fee, travel, subsistence and accommodation. ]


ICHEC and the Tyndall National Institute are together organising a workshop on the theory and practical use of Quantum ESPRESSO, an integrated suite of computer codes for electronic structure calculations and materials modelling at the nanoscale level.

Quantum Espresso

Quantum ESPRESSO is an initiative of the DEMOCRITOS National Simulation Center (Trieste), of SISSA (Trieste) and of their partners, in colaboration with CINECA National Supercomputing Center in Bologna, the Ecole Polytechnique Fédérale de Lausanne, Princeton University, the Massachusetts Institute of Technology and Oxford University.

Topics that will be covered at the workshop are to come from a range of contemporary Quantum ESPRESSO applications: from simple electronic structure calculations, equilibrium structure and reaction paths search, to the most sophisticated theoretical spectroscopies such as nuclear magnetic resonance (NMR), electron paramagnetic resonance (EPR), optical absorption, Raman and scanning tunnel microscopy, etc.

The workshop is intended for postgraduates and researchers who are familiar with the field and who want to use state-of-the-art electronic structure theory codes and take full advantage of massive parallelisation using multiprocessing and multithreading techniques. A team of international experts, including some of the developers of Quantum ESPRESSO from the DEMOCRITOS National Simulation Center, will present the lectures. ICHEC staff will assist with the tutorials.

Prior knowledge of OpenMP and MPI and familiarity with a Unix environment are a requirement for participation in the workshop.

Workstations will be provided for attendees and access to HPC resources will be provided by ICHEC. ICHEC will also provide additional access to the course by streaming video from the event to the HPC hub in Dublin. Attendance will be limited to 25 places in Cork and 8 places in Dublin.

The full programme for the event is available at Quantum ESPRESSO Workshop Programme.


We would like to pay special thanks to Inspire, NVIDIA, CAPS entreprise and Science Foundation Ireland for their sponsorship of this event.

Inspire logo