Welcome to QuantumDNA’s Documentation!
The study of DNA charge dynamics is a highly interdisciplinary field and plays an important role in processes such as DNA damage detection, protein-DNA interactions, and DNA-based nanotechnology. However, despite significant progress in each of these areas, knowledge often remains inaccessible to researchers in other scientific communities. To bridge this gap, we have developed QuantumDNA: an open-source python package for simulating DNA charge transfer and excited state dynamics using quantum physical methods.
QuantumDNA uses a linear combination of atomic orbitals (LCAO) approach combined with tight-binding models and open quantum systems techniques. This way one can quickly scan large numbers DNA sequences, enabling statistical studies of genetic and epigenetic phenomena.
Whether you’re a scientist, student, or just curious, QuantumDNA: dive in and start exploring!
About This Documentation
This documentation includes:
API Reference: Description of QuantumDNA’s functions and classes.
User Guide: Tutorial Jupyter notebooks for getting started and using QuantumDNA effectively.
Graphical User Interface (GUI): Information on how to use the GUI for visualizing and analyzing DNA exciton and charge transfer.
For additional resources and development information, visit the QuantumDNA GitHub repository. For hands-on learning, check out the Tutorial Notebook GitHub repository, which contains examples and guided exercises.