ONETEP Masterclass 2024

4th September to 6th September 2024, Rutherford Appleton Laboratory, Oxfordshire, UK

Organizers and tutors

  • A. Bhandari, J. Dziedzic and C.-K. Skylaris (University of Southampton)
  • G. Teobaldi, AM. dos Santos Dias (STFC)
  • C. Xiao, A. Mostofi (Imperial College London)
  • N. D. M. Hine, M. Escobar-Azor (University of Warwick)

Sponsors

We gratefully acknowledge support from EPSRC via the project EP/W029545/1 Supporting research communities with large-scale DFT in the next decade and beyond.

Venues

The event will be held at Rutherford Appleton Laboratory, Oxfordshire, United Kingdom. Accommodation is at Milton House Hotel, Steventon.

PROVISIONAL SCHEDULE


Wednesday, September 4th

  • 10:00 : Welcome & coffee
  • 10:30:  Lightning presentations by participants
  • 12:15 : Lunch in STFC canteen
  • 13:30 : Introduction to linear-scaling DFT (A. Mostofi) PDF
  • 14:15 : Introduction to the ONETEP code (C.-K. Skylaris) PDF
  • 15:00 : Coffee Break – meet tutors
  • 16:15 : Start projects and discussions with tutors
  • 17:30 : Transport to the hotel, free time
  • 19:00 : Dinner at the hotel

Thursday, September 5th

  • 9:00 : Work on projects
  • 11:00 : Coffee
  • 11:15  : Talk TBD
  • 11:30 : Talk TBD
  • 12:30 : Lunch in STFC canteen
  • 13:45:  Talk TBD
  • 14:15 : Talk TBD
  • 14:45:  Work on projects
  • 15:00: Coffee
  • 15:30 : Work on projects
  • 16:00 : Talk TBD
  • 16:30 : Work on projects
  • 17:30 : Transport to the hotel, free time
  • 19:00 : Dinner at the hotel

Friday, September 6th

  • 09:00 : Discussions with tutors – review of overnight calculations, work on projects
  • 11:00 : Coffee
  • 11:30 : Talk TBD
  • 12:00:  Talk TBD
  • 12:30 : Lunch in STFC canteen
  • 13:45 : Work on projects
  • 15:00 : Coffee
  • 15:15 : Participants’ 5 minute summaries of outcomes and future plans
  • 16:00 : End of Masterclass