Nov 13, 2023 to Nov 17, 2023
Date:
13 November 2023 to 17 November 2023
Location:
Lingby (DK)
The new TranSIESTA school: Tools for electron transport!
Topics covered during the school (may be subject to changes):
- Usage of TranSIESTA/TBtrans and sisl.
- Correlated systems and the mean field Hubbard model.
- Inelastic transport.
- Single contacts by removal of periodic images.
- Modelling of extremely large systems with DFT precision.
It will cost ~200 EUR (1.500 DKK) to participate, paid in advance. This will cover lunches, coffee breaks and the conference dinner. One can sign up here.
Course material
The schools material is based on this repository.
Previous schools have lectures hosted here.
Tentative program
| Monday 13th November | |
|---|---|
| 12:00-13:00 | Registration + lunch (bring your own lunch!) |
| 13:00-15:00 | Theory 1: Non-equilibrium Green function theory |
| 15:00-15:30 | Coffee and cake |
| 15:30-17:00 | Tutorial 1: Tight-binding and TBtrans |
| Tuesday 14th November | |
| 09:00-09:45 | Shotgun presentations 1 min per participant (1 or 2 slides MAX) |
| 09:45-10:00 | Break |
| 10:00-12:00 | Theory 2: Non-equilibrium Green function theory |
| 12:00-13:00 | Lunch (sanchwich covered by fee) |
| 13:00-15:00 | Tutorial 2: Tight-binding and TBtrans |
| 15:00-15:30 | Break |
| 15:30-17:00 | Tutorial 3: Tight-binding and TBtrans N-electrode |
| 18:00 | Conference dinner (likely in Lyngby, covered by fee) |
| Wednesday 15th November | |
| 09:00-09:30 | Theory 3: NEGF for N-electrode calculations |
| 09:00-10:00 | Tutorial 4: TranSIESTA calculations for N-electrodes |
| 10:00-10:30 | Break |
| 10:30-12:00 | Tutorial 4: Continuing tutorials |
| 12:00-13:00 | Lunch (sanchwich covered by fee) |
| 13:00-15:00 | Theory 4: Thomas Frederiksen (DiPC, Spain)/Sofia Sanz (DTU) |
| 15:00-15:30 | Break |
| 15:30-17:00 | Tutorial 5: Hubbard |
| Thursday 16th November | |
| 09:00-10:00 | Tutorial 6: DFT -> TB -> Large scale tight-binding (Gaetano Calogero, CNR-IMM, Italy) |
| 10:00-10:30 | Break |
| 10:30-12:00 | Tutorial 6: Continuation |
| 12:00-13:00 | Lunch (sandwich covered by fee) |
| 13:00-15:00 | Tutorial 7: Bilayer graphene + NPG (Xabier de Cerio, DiPC, Spain) |
| 15:00-15:30 | Break |
| 15:30-17:00 | Tutorial 7: Continuation |
| Friday 17th November | |
| 09:00-10:00 | Tutorial 8: Real space self-energies |
| 10:00-10:30 | Break |
| 10:30-12:00 | Comments, remarks and wrap-up: Recap important points of calculation setups |
| 12:00 | Thank you and goodbye |
Registration
Please sign up here. The cost of ~200 EUR is to be paid upon registration.
Preparation training
Students may join the SIESTA school before this for better understanding and a greater in-depth knowlegde of the SIESTA method, see here for details.
Contact
If questions arise, please do not hesitate to bring them up on the sisl Discord channel. We encourage users to stay around the community at that channel.