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Band theory calculations using variational quantum algorithms

Project description

BandCalQ

BandCalQ is a Qiskit library created for band theory calculations using variational quantum algorithms. This framework's goal is to deliver a simple interface that allows users to acquire electronic band structures providing minimal input.

Installation

BandCalQ can be installed via pip using the following command.

pip install bandcalq

All dependencies are handled automatically.

Usage

Usage of the BandCalQ library is explained in provided Jupyter Notebooks - example_simple.ipynb and example_advanced.ipynb that can be found in examples directory.

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