Quantum Graphs is a web utility that calculates eigenvalues and eigenfunctions for graphs and presents them graphically. It also calculates Green's function and Transmission functions based on complex contacting geometries.

The idea originates with my Ph.D. supervisor, Per Hedegård, who built a similar bur cruder graphical explorer in VB script, and used it as an exploration tool for his molecular theory research.

The Quantum Graphs App started out as huckelmethod.com, and focused in the beginning on simple models for molecules. It was put together during Christmas 2013, but I did a major overhaul of the code in November 2014 as part of my work at the department of Chemistry at the University of Copenhagen.

During summer 2016 major updates was done to the code and it was released as quantumgraphs.com.

Comments and questions are welcome at quantumgraphs@gmail.com.


I have used some great tools and libraries, and a lot of the credit goes their way. Here I list them all in random order (released under a MIT license unless otherwise noted):

/Kim G. L. Pedersen, 2017.