QuDoFeDi (Quantum simulation of Double-sided Feynman Diagrams) is a Python package that can be used for the computation of the optical response of exciton systems to linear and non-linear electronic spectroscopic.
QuDoFeDi is based on response theory and allows for the simulation of the double-sided Feynman diagrams that compose the response function of the system.
QuDoFeDi is compatible with IBM Qiskit and can run circuits on IBM Quantum devices.
The algorithmic strategy has been presented in: Bruschi, M.; Gallina, F.; Fresch, B. A Quantum Algorithm from Response Theory: Digital Quantum Simulation of Two-Dimensional Electronic Spectroscopy. J. Phys. Chem. Lett. 2024, 15, 1484–1492, DOI: 10.1021/acs.jpclett.3c03499
The software requires the following packages to be installed:
We advise using Conda environments for a clean setup.
Once Conda is installed, create a new environment and switch to it by running:
conda create --name qudofedi_env
conda activate qudofedi_env
Clone the repository using git clone.
From the parent repository folder, in your qudofedi_env, the requirements can be installed with:
pip install -r requirements
Then, run the following to install the QuDoFeDi package:
pip install -e .
There are example Jupyter notebooks illustrating usage of the package in the Examples folder.