Quantics Tutorials

Covers the basic ideas of quantum dynamics and how to use Quantics

How to do the Tutorial

1.Set up a Gitlab account and email Graham Worth the completed form to gain access to the Quantics package repository

2.Download and compile Quantics - See the README.txt file for help, or visit our Forum and ask there. You will need GFortran and Gnuplot already installed.

3.Download the tutorial manual here, as well as the required input and operator files

4.You’re all set! Remember to check the Discourse channel for help on setting up and using Quantics, or watch the videos here for more information on the structure of the code.

Quantics Tutorial Day, Nov 2024

DISCLAIMER: Some of the documentation, links and nomenclature in these videos may be out of date. Check the latest documentation.

This is a recording of a presentation by Prof. Graham Worth at the Quantics Training Day, UCL, 7/11/24 (in conjunction with the COSMOS project)

A brief overview of the theory behind quantum dynamics, specifically solving the time dependent Schrodinger equation using MCTDH, and how to set up input file in Quantics for this.

This is a recording of a presentation by Prof. Graham Worth at the Quantics Training Day, UCL, 7/11/24 (in conjunction with the COSMOS project)

A brief look into the theory behind the DDvMCG method and how to set up a direct dynamics input file in Quantics.

More Input Tutorial Videos

DISCLAIMER: Some of the documentation, links and nomenclature in these videos may be out of date. Check the latest documentation.

Prof. Graham Worth

Discusses setting up the input file for a Quantics calculation, including choosing your DVR and integrator

Prof. Graham Worth

Discusses setting up your operator file for a Quantics calculation, including your potential and kinetic operators

Prof. Graham Worth

How to add an external field, such as a light pulse, into your Quantics input files

Analysis Tutorials

DISCLAIMER: Some of the documentation, links and nomenclature in these videos may be out of date. Check the latest documentation.

Prof. Graham Worth

How to check whether your propagation has been successful

Prof. Graham Worth

A demonstration on how to run a Quantics calculation and how to analyse the results: a linear Vibronic Coupling model of Pyrazine followed by plotting the absorption spectrum.

Recording of an online presentation by Prof. Graham Worth, Feb 2024

A user perspective on using Quantics from installation, to setting up input files, to analysing the results - includes a direct dynamics example.