Numerical tight-binding methods in code

Datum: 3 februari 2016

Locatie: University of Antwerp - Campus Groenenborger - Room U.241 - Groenenborgerlaan 171 - 2020 Antwerpen

Tijdstip: 16 - 17 uur

Organisatie / co-organisatie: Condensed Matter Theory (CMT)

Korte beschrijving: Condensed Matter Theory seminar presented by Dean Moldovan



Abstract

The tight-binding model is applicable to a wide variety of phenomena in quantum physics and it can be used with very large systems on the order of millions of atoms. Realizing this method requires writing code which is often meant to solve just a single problem. This single-purpose nature makes the code hard to modify and extend. Increasing complexity leads to so called "spaghetti code". Therefore, a more systematic approach is required to establish a reusable code base. This talk will attempt to introduce such a code framework which can be quickly and easily adapted to suit any tight-binding problem. The code is packaged as a library for the Python programming language and will be presented during this talk. Along the way, other useful numerical tools will be described, as well as recommendations for good coding practices.

Dean Moldovan, CMT group UAntwerp

 

 



Contact e-mail: lucian.covaci@uantwerp.be

Url: http://cmt.uantwerpen.be