Qupled

Qupled is a Python package designed for calculating the properties of quantum plasmas using the dielectric formalism. By combining a straightforward Python interface with the speed of C++, it allows for efficient and accurate computations of quantum plasma properties.

Status

Running

After installation qupled can be used as a regular Python package.

# Solve the stls dielectric scheme for coupling = 10 and degeneracy 1.0
import qupled.stls as stls
inputs = stls.Input(10.0, 1.0)
stls.Solver().compute(inputs)

Documentation

More detailed information on the package together with a list of examples is available in the documentation.

Publications

Qupled has been used in the following publications:

1. Tolias, P., Kalkavouras, F., Dornheim, T. & Lucco Castello, F. (2025). Dynamic Properties of the Warm Dense Uniform Electron Gas With the qSTLS Dielectric Scheme. Contributions to Plasma Physics, 0:e70014
2. Tolias, P., Lucco Castello, F., Kalkavouras, F., & Dornheim, T. (2024). Revisiting the Vashishta-Singwi dielectric scheme for the warm dense uniform electron fluid. Physical Review B, 109(12)
3. Tolias, P., Lucco Castello, F., & Dornheim, T. (2023). Quantum version of the integral equation theory-based dielectric scheme for strongly coupled electron liquids. The Journal of Chemical Physics, 158(14)
4. Lucco Castello, F., Tolias, P., & Dornheim, T. (2022). Classical bridge functions in classical and quantum plasma liquids. Europhysics Letters, 138(4)
5. Tolias, P., Lucco Castello, F., & Dornheim, T. (2021). Integral equation theory based dielectric scheme for strongly coupled electron liquids. The Journal of Chemical Physics, 155(13)