Date: 17 May 2021 to 21 May 2021
Location: virtual edition + San Sebastian (ES)

Event: Advanced school on Quantum Transport using SIESTA

Where: San Sebastian (ES) @DIPC - Donostia International Physics Center

Who (in-charge): Pablo Ordejon - ICN2

What: School

When: May 17-21, 2021

This school will focus on the field of theoretical condensed matter electronic transport exploiting the non-equilibrium Green’s function approach. In particular, recent advances in transport theory [1] will be presented in the form of lectures and hands-on sessions on hot topics in the field. The teachers will present novel methods used for materials research modelling. The participants will learn the advanced features of SIESTA, such as the calculations of non-equilibrium properties using the TranSIESTA/TBtrans approach and the python framework SISL [2]. For example the school lectures will cover a recent novel scheme introducing truly single-junction transport calculations [3] and the new implementations to include in the transport calculations different corrections to the Hamiltonian accounting for electron-phonon coupling [4], spin orbit coupling and electronic correlation. Moreover the users will learn how to extract a tight-binding Hamiltonian from a DFT Hamiltonian allowing them to deal with very large systems [5,6].

References

[1] N. Papior, N. Lorente, T. Frederiksen, A. García, M. Brandbyge, Comp. Phys. Comm., 212, 8 (2017)
[2] https://github.com/zerothi/sisl
[3] N. Papior, G. Calogero, S. Leitherer and M. Brandbyge, arXiv:1905.11113v1.
[4] J. Halle, N. Néel, M. Fonin, M. Brandbyge, J. Kröger, Nano Lett. 18, 5697 (2018).
[5] G. Calogero, N. Papior, M. Koleini, M. H. L. Larsen, and M. Brandbyge, Nanoscale, 11, 6153 (2019).
[6] G. Calogero, N. Papior, P. Bøggild, and M. Brandbyge, J. Phys. Condens. Matter, 30.

Complete info here