We advise the use of Conda for a clean setup.
Once Conda is installed, create a new environment
conda create --name qsextra_env python==3.11.5
and switch to it by running
conda activate qsextra_env
Clone the repository using
git clone https://github.com/federicogallina/qsextra.git
enter the folder and install the qsextra module with
pip install -e .
This package has been used to obtain results presented in Gallina, F.; Bruschi, M.; Cacciari, R.; Fresch, B. Simulating Non-Markovian Dynamics in Multidimensional Electronic Spectroscopy via Quantum Algorithm (2024).
The package is composed of two main modules:
qcomo(quantum collision model): Simulation of the exciton dynamics in chromophore aggregates. The open quantum system dynamics is implemented in terms of quanutm circuits (qevolve) using a collision model. Pseudomode technique can be used to account for a non-Markovian environment. A classical execution of the system-pseudomode (clevolve) dynamics is also available, based on Qutip master equation solver;spectroscopy: Simulation of the optical response of an excitonic system. Simulation is achieved by implementing the excitation pathways described by double-sided Feynman diagrams as 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, 5, 1484–1492.