AIMPRO 2003, Exeter

Current issues and developments in the cluster and supercell codes

14th-16th December 2003


Sunday 14th December:

Accommodation in Crossmead Conference Centre, as arranged with individual delegates.

Monday 15th December:

Venue - Physics: Room 503

 - 09:00  Arrive at venue
09:00-09:10 Bob JonesIntroduction
09:10-09:50 Patrick BriddonAn overview of the developments during 2003
09:50-10:30 Mike ShawCluster AIMPRO (*)
10:30-11:00 Tea/Coffee (Room 503)
11:00-11:20 Mark RaysonSpin-orbit interactions in AIMPRO
11:20-11:40 Alberto ZobelliEELS modelling of nanostructures with CASTEP and AIMPRO - a comparison
11:40-12:00 Ben HourahineExact exchange
12:00-12:20 Mike ShawCore wavefunction reconstruction
12:20-14:00 Lunch (Room 503)
14:00-14:20 Mike ShawLattice definitions - the advantages over the old method (*)
14:20-14:40 Patrick BriddonSelf-consistency issues (*)
14:40-15:00 Patrick Briddon
(on behalf of JH)
15:00-17:00 Workshop session I (including tea/coffee)
17:00-17:30 Open session I
19:00-  Meeting dinner - Crossmead

Tuesday 16th December:

Venue - Physics: Room 503

09:00-09:20 Patrick BriddonHow to get more speed out of AIMPRO
09:20-09:40 Ben Hourahinek-point sampling method
09:40-10:00 James AdeyPseudopotential (and basis) data-base
10:00-10:20 Ahlam El-BarbaryVacancy cluster in irradiated graphite: co-planar vacancy aggregation and dimensional change
10:30-11:00 Tea/Coffee (Room 503)
11:00-11:30 Mike Shaw and Bob JonesRare earths - open f-shell atoms
11:30-11:50 Chris EwelsAIMPRO modelling of extrinsic defects in carbon nanotubes
11:50-12:10 Patrick BriddonHardware issues
12:10-12:30 Mike WardleDisilicide precipitates in silicon
12:30-14:00 Lunch (Room 503)
14:00-16:00 Workshop session II
16:00-16:30 Tea/Coffee
16:30-17:30 Open session II and close

Each talk is a platform for open forum discussions, and timings may well be adjusted ad hoc.

(talks marked (*) have tutorial exercises associated with them)

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Mon Dec 15 08:35:09 GMT 2003 by Jonathan Goss and James Adey
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