Meetings

DFT AIMPRO Training School


DFT AIMPRO Training School

3-4th June 2013, University of Surrey, Guildford.  Full details here: http://aimpro2013.eps.surrey.ac.uk/

The Theoretical Chemistry/Computational Materials Group is pleased to host a training school in the use of the AIMPRO DFT Code! It takes place 3rd – 7th June 2013 at the University of Surrey, Stag Hill, Guildford, UK.

AIMPRO is a GTO-based density functional code (http://aimpro.ncl.ac.uk) that achieves high speed and accuracy through its attention to memory management, numerical implementation of algorithms and parallelisation. Authors Patrick Briddon and Mark Rayson have invented and implemented a basis filtration algorithm which retains DFT precision even for minimal basis sets. Speed gains of one or two orders of magnitude have been reported on serial and parallel execution on desktops and servers, and 10,000 atom cells are accessible on massively parallel systems.

AIMPRO.2013 aims to introduce AIMPRO to new users, demonstrate materials and nanomaterials research enabled by AIMPRO and provide a platform for discussion of current and future opportunities and needs, with feedback from the users. The week is divided into three as follows:

1) a hands on open workshop and training school for new users led by the principal authors of the code running from 11.00 on Monday to 13.00 on Tuesday.

2) an applications workshop of the theory work group of the NanoTP network (Principal investigators: Carla Bittencourt and Chris Ewels) from 14.00 Tuesday to 17.30 Wednesday.

3) an advanced workshop on developing features within AIMPRO for established users and NanoTP WG4 members from 9.00 Thursday to 13.00 Friday.

The meeting will take place on the Stag Hill Campus using lecture rooms and computer laboratories. Teas and coffee will be provided, as well as workshop dinners on Monday 3 June and Thurs 6th June.

Full details are on teh meeting website at http://aimpro2013.eps.surrey.ac.uk/


31 May 2013