Joint MCC-UKCP-EPCC Workshop on Ab initio Periodic Codes

Event Details

This workshop will interest you if you are an advanced user of ab initio periodic codes on high performance computers (HPC), and want to:

  • Learn to tailor the choice of code to the project, to increase efficient exploitation of HPC
  • Explore the capabilities of other codes
  • Get more closely connected with the code experts and developers, as well as HPC experts

At this advanced workshop, you will have the chance to perform calculations with a variety of ab initio periodic codes on ARCHER, the latest UK National Supercomputing Service. The main codes represented at the workshop are: CP2K, ONETEP, CRYSTAL, Quantum Espresso, CASTEP and VASP.

Thanks to the hands-on focus of the workshop, you will be able to familiarise yourself with codes by means of tutorials, and begin to apply codes you are not familiar with to your own projects. Tutors will give general presentations on the codes, and offer guidance in the hands-on sessions and one-to-one discussions.

The workshop is organised jointly by the Edinburgh Parallel Computing Centre (EPCC), home of ARCHER and a PRACE Advanced Training Centre, and two UK High End Computing Consortia that provide ARCHER computing resources to their members: the Materials Chemistry Consortium (MCC), and the United Kingdom Car Parrinello (UKCP) Consortium.


Dominik Jochym
Phil Hasnip
James Kermode
Stefano Fabris
Carlo Cavazzoni
Tim Zuehlsdorff
Nick Hine
Martijn Marsman
Jonathan Skelton
Ricardo Grau-Crespo
Matt Watkins
Lianheng Tong
Iain Bethune
Leonardo Bernasconi
Barry Searle

Stewart Clark

Eligibility: You need to be an experienced, intensive user of ab initio periodic codes on HPC and have an active account on ARCHER. Please provide your ARCHER username. Priority will be given to groups affiliated with MCC or UKCP. If you are not a member yourself, please provide the name of a consortium member you are associated with.

Posters: Please bring a poster, both as a focus for discussion and as a mean to share your work with other participants.

Costs: Attendees will need to cover their own costs for travel, accommodation and evening meals. No bursaries are available for the event. The organisers will sponsor the refreshments during the conference and transport to and from the official event hotel (the Mercure Chester) to the Laboratory plus a conference dinner in Chester on Thursday 21 January.

The workshop will start at 1pm on Tuesday 19 January and end at 1pm on Friday 22 January.



Start Date: Tuesday, 19th January 2016
End Date: Friday, 22nd January 2016

Price: £0
Fee Info: Registration for this workshop is FREE. Refreshments and lunches will be provided during the workshop. There will also be a free shuttle service from the official workshop hotel in Chester to the Laboratory each day. Accommodation is NOT included and must be booked seperately if required.

Spaces Available

6 remaining out of 45 spaces

View list of delegates

Venue Details

STFC Daresbury Laboratory
Daresbury Science & Innovation Campus Warrington WA4 4AD
Venue Website

Accommodation Details

Accommodation is NOT included in your registration. If you require accommodation you must make your booking separately. This also applies to workshop tutors who should make their own booking and then claim the cost back after the workshop via an expense form that will be provided.

The official conference hotel is the Mercure Hotel, Chester. A free shuttle will run between this hotel and Daresbury Laboratory throughout the conference. Room prices are £75 (B&B) or £90 (D,B&B). To make a booking at the Mercure please use this online booking tool. Please read the instructions for booking accommodation before completing the online form.

Please note that if you choose to stay in a different hotel then transport will not be provided. A list of other hotels local to Daresbury Laboratory can be found here. Prices are an indication only and should be checked before booking.
For further information contact Meeting Administrator