Timetable
Morning lectures are in the Hume-Rothery Lecture Theatre at the Department of Materials. Afternoon practical sessions are in the Thames Suite at the Oxford IT services (13 Banbury Rd).
Monday 18th August
| 8:45-9:10
| Registration
|
| 9:15-10:00
| The power of first-principles Materials simulation
| Stewart Clark
|
| 10:00-11:00
| Introduction to electronic structure, plane-waves and pseudopotentials
| Phil Hasnip
|
| 11:00-11:30
| coffee
|
| 11:30-12:30
| The reciprocal space description of electron and phonon states: DOS and dispersion
| Phil Hasnip
|
| 12:30-14:00
| lunch
|
| 14:00-14:30
| Introduction to CASTEP
| Stewart Clark
|
| 14:30-17:30
| Practicals
|
Tuesday 19th August
| 9:00-10:00
| Geometry and Phase Stability
| Dominik Jochym
|
| 10:00-11:00
| Solid-state NMR - theory
| Jonathan Yates
|
| 11:00-11:30
| coffee
|
| 11:30-12:30
| Phonons
| Keith Refson
|
| 12:30-14:00
| lunch
|
| 14:00-15:00
| MagresView - optional introductory tutorial to viewing and processing NMR parameters
| Simone Sturniolo / Tim Green
|
| 14:00-17:30
| Practicals
|
| 18:00-19:30
| Poster Session
|
Wednesday 20th August
| 9:00-10:00
| Vibrational Spectroscopy
| Keith Refson
|
| 10:00-11:00
| Introduction to Ab Initio Random Structure Searching
| Chris Pickard
|
| 11:00-11:30
| coffee
|
| 11:30-12:30
| AIRSS - a practical guide
| Chris Pickard
|
| 12:30-14:00
| lunch
|
| 14:00-17:30
| Practicals
|
Thursday 21st August
| 9:00-10:00
| NMR - practical aspects, disorder and dynamics
| Jonathan Yates
|
| 10:00-11:00
| AIRSS - defects and other applications
| Andrew Morris
|
| 11:00-11:30
| coffee
|
| 11:30-12:10
| Guide to exchange-correlation functionals
| Dominik Jochym
|
| 12:10-12:50
| Convergence - obtaining result you can trust
| Keith Refson
|
| 12:50-14:00
| lunch
|
| 14:00-17:30
| Practicals
|
Friday 22nd August
| 9:30-10:20
| A user's guide to pseudopotentials
| Daniel Jones
|
| 10:20-11:10
| CASTEP in parallel
| Phil Hasnip
|
| 11:10-11:40
| coffee
|
| 11:40-12:40
| Recent Developments (tddft, spin-orbit, non-collinear magnetism
| Daniel Jones / Dominik Jochym
|
| 12:30-14:00
| lunch
|
| 14:00-17:30
| Practical
|