29th August to 1st September 2017, University of Warwick, Coventry, UK
Organizers and tutors
- N. D. M. Hine (University of Warwick)
- L. Ratcliff, A. A. Mostofi and P. D. Haynes (Imperial College London)
- J. Womack, J. Dziedzic and C.-K. Skylaris (University of Southampton)
Venues
The event will be held at Arden Conference Centre, University of Warwick, Coventry, CV7 4AL, United Kingdom.
FAQ about the venue
Campus Map
Parking Permit
SCHEDULE
Tuesday, August 29th
- 12:00 : Welcome & registration in Arden Space 19
- 12:30 : Lunch in Arden restaurant
- 13.30 : Short presentations by participants
- 15:45 : Coffee Break – meet tutors
PARALLEL SESSION I: for beginners
- 16:15 : Introduction to linear-scaling DFT (Arash Mostofi) PDF
- 17:00 : Introduction to the ONETEP code (Chris-Kriton Skylaris) PDF
PARALLEL SESSION II: for more experienced ONETEP users
16:15 : Start projects and discussions with tutors (Breakout room)
19:30 : Dinner
Wednesday, August 30th
- 09:15 : Overview of functionality in the ONETEP code (Nicholas Hine) PDF
- 10:00 : Work on projects
- 11:00 : Coffee
- 12:00 : Work on projects
- 12:30 : Lunch
- 14:00 : Linear scaling methods for metals (Chris-Kriton Skylaris) PDF
- 14:30 : Work on projects
- 15:45 : Coffee
- 16:00 : Time-Dependent Density Functional Theory in ONETEP (Nicholas Hine) PDF
- 19:30 : Dinner
Thursday, August 31st
- 09:15 : Discussions with tutors – review of overnight calculations
- 10:00 : Projector Augmented Waves PDF And EELS PDF (Nick Hine)
- 10:30 : Implicit solvent (Jacek Dziedzic) PDF
- 11:00 : Coffee
- 11:15 : Work on projects
- 12:30 : Lunch
- 13:30 : Work on projects
- 15:30 : Parallel Performance optimisation in ONETEP (Nick Hine) PDF
- 15:45 : Coffee
- 16:00 : Work on projects
- 19:00 : Drinks reception, followed by conference dinner (Arden House private dining room)
Friday, September 1st
- 09:15 : Discussions with tutors – review of overnight calculations, work on projects
- 10:00 : Meta GGAs in ONETEP (briefly) (James Womack) PDF
- 10:15 : DFT+U and DMFT in ONETEP (Edward Linscott) PDF
- 10:30 : Simulating Biological Systems (Danny Cole) PDF Δ
- 10:45 : Coffee
- 11:00 : Participants’ 5 minute summaries of outcomes and future plans
- 12:00 : End of Masterclass