TBtrans AND TranSiesta TUTORIAL

 

  Dates 25-27 October 2017

Seminar room, Danchip - DTU, Denmark

Workshop coordinated by Nick R. Papior and DTU Nanotech

Register to participate

Link to accommodation

Travelplan from Copenhagen

Workshop

 

>>Multi-electrode nanoscale transport with non-equilibrium Greens functions: From tight-binding to DFT<<

DTU Nanotech and Center for Nanostructured Graphene proudly invites you to the second TranSIESTA and TBtrans workshop with hands-on focus on the software.

This workshop is a 3-day course aimed at researchers interested in performing large-scale tight-binding transport calculations and/or density-functional theory + non-equilibrium Green function transport
calculations. The workshop is free to attend with lunches included. 

The tutorial is an initiative of the DTU Nanotech and Center for Nanostructured Graphene.

It is mandatory that you REGISTER HERE to participate in this free workshop.
Please note there is a limited number of seats available for the workshop.

Accommodation is at the expense of the participants.

Download the flyer here.


 

ABSTRACTS

This 3-day workshop concentrates on the TBtrans/TranSiesta implementation of the nonequilibrium Green function techniques. The focus will be tutorials and hands-on experience with the transport utility TBtrans and the self-consistent method TranSiesta.

Our workshop will start by introducing the Green function method to a required level of understanding for the remainder of the workshop. Tutorials starts with simple tightbinding models created by Python scripts using Sisl. The input options for TBtrans will be explored and details regarding the TBtrans utility will be emphasised. Simultaneously, data-analysis will be presented using Python. Succeeding the TBtrans tutorials we will concentrate on self-consistent non-equilibrium calculations using TranSiesta. We will showcase how to perform N electrode calculations using TranSiesta.


 

PREREQUISITES

Upon completing the tutorial the attendee should have obtained knowledge on how to conduct tight-binding calculations as well as self-consistent non-equilibrium Green function calculations.

  • The participants are required to have a basic knowledge of solid state physics.
  • The participant should bring a laptop with a Linux/MacOS installation. You are free to use Virtual Box if you are more comfortable with Windows.
  • The participants are required a basic knowledge of command-line use (See e.g. this site: http://linuxcommand.org/learning_the_shell.php).
  • The participants should, preferentially, have a basic knowledge of Siesta and be able to conduct Siesta calculations.
  • The participants should, preferentially, have a basic knowledge of Python coding and in particular the NumPy package.

 

DTU    DTU Nanotech

Center for Nanostructured graphene   Villum Fonden

http://www.nanotech.dtu.dk/English/Transiesta
24 OCTOBER 2017