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Multi-electrode nanoscale transport with non-equ ... (No replies)

4 months ago
nicpa 4 months ago

Dear community,

We hereby announce an upcoming workshop related to the tool-suite TBtrans + TranSiesta and its Python offspring, sisl.
Our workshop
"Multi-electrode nanoscale transport with non-equilibrium Greens functions: From tight-binding to DFT"
will be held in Denmark, DTU Nanotech (Lyngby) on the 20-23 of November 2018.
This is the third time this workshop will take place.

The workshop is aimed at teaching participants the usage of the three combined tools:
1. TBtrans (NEGF transport calculator for N-electrodes)
2. TranSiesta (DFT+NEGF method for N-electrodes)
3. sisl (Python tool for manipulating DFT Hamiltonians, creating tight-binding Hamiltonians and subsequent data analysis)

This years workshop will learn attendees the basics of:
- Calculate transport properties of tight-binding and DFT Hamiltonians
- Creating exa-scale tight-binding systems for transport calculations
- Perform DFT+NEGF calculations for N-electrodes
- Use of sisl to analyze DFT output from Siesta calculations (not necessarily TranSiesta calculations!)
Our tutorials will mainly be focused on chain systems and graphene.

Participation in the workshop costs 100 EURO and includes lunches, an evening dinner and refreshments throughout the workshop.
We encourage participants to contribute a poster to show their research during the workshop.

Registration and information regarding the workshop can be found here:

Workshop organizers (DTU Nanotech and Center for Nanostructured Graphene):

Dr. Nick Papior, Technical University of Denmark (DTU)
Prof. Mads Brandbyge, Technical University of Denmark (DTU)

We hope to see you on the 20-23 of November 2018!

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Ab initio (from electronic structure) calculation of complex processes in materials