Quantum transport using the C++ library TBTK

In summary, the speaker is working on a C++ library for second-quantized models called TBTK, and has recently begun implementing solutions to exercises in the book "Quantum transport: Atom to Transistor, S. Datta (2005)". They are looking forward to interacting with interested developers and mention their PhD thesis on "Topological band theory and Majorana fermions". The library originated from the tight-binding calculations done during this time and has now expanded to provide data structures for problems in second-quantization. Their motivation for this development is to facilitate the development of new algorithms and enable seamless integration with existing packages.
  • #1
dafer45
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Hi,

I'm working on a C++ library for second-quantized models called TBTK (https://github.com/dafer45/TBTK). To make it easy for people to get started using the library, I have recently begun implementing solutions to the exercises in the book "Quantum transport: Atom to Transistor, S. Datta (2005)" that uses the library (https://github.com/dafer45/DattaQuantumTransportAtomToTransistor).

I'm looking forward to interact with interested developers. Let me know your thoughts.
 
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  • #2
Welcome to the PF. :smile:

What did you do your PhD in, and what was the subject of your dissertation? Was it in this area?
 
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  • #3
Thanks for the welcome greeting :)

My PhD thesis is on "Topological band theory and Majorana fermions" (http://www.diva-portal.org/smash/get/diva2:1034719/FULLTEXT01.pdf). The library originated from the tight-binding calculations that I did during this time and a short overview of the state of the code at the time of my defense is available in Chapter 6. However, the data structures I developed were general enough to allow me to expand the scope of the library. It is now more broadly aimed at providing data structures for problems formulated in the language of second-quantization in general.

My motivation for this development is the observation that much of the scientific community has developed a lot of algorithms over the years. But little systematic development of general purpose data structures for quantum mechanical problems has occurred. By providing such data structures I aim to facilitate the development of new algorithms, as well as front ends and back ends to already existing packages. Thereby I hope to enable seamless integration of the algorithms that are used in the community.
 
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A brief introduction to the core philosophy can be found in this promo video
 

1. What is the C++ library TBTK used for?

The C++ library TBTK (ToolBox for TBTK) is used for simulating quantum transport phenomena in condensed matter systems. It provides tools for solving the Schrödinger equation and calculating physical properties such as conductance and transmission coefficients.

2. How does TBTK handle quantum transport simulations?

TBTK uses a tight-binding approach, where the system is described by a set of Hamiltonian matrices that represent the interactions between electrons in the system. These matrices are then used to calculate the wave functions and transport properties of the system.

3. Is TBTK suitable for studying any type of condensed matter system?

Yes, TBTK is a general-purpose library and can be used to study a wide range of condensed matter systems, including crystals, disordered systems, and topological materials.

4. Are there any pre-defined models or systems available in TBTK?

Yes, TBTK provides pre-defined models for commonly studied systems such as graphene, carbon nanotubes, and topological insulators. These models can be easily customized to fit specific research needs.

5. Is TBTK a free and open-source library?

Yes, TBTK is a free and open-source library that is available on GitHub. It is constantly being updated and improved by a community of researchers and developers.

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