Authors: Ming-Hsiu Hsieh, Roel Tempelaar
Publication: J. Chem. Phys. 2025, 162, 224109
The code has been run under Python 3.10.15 with the following packages of the version specified in parentheses.
Required packages: Numpy (1.26.4), Numba (0.60.0), Ray (2.38.0), matplotlib (3.9.2)
The Jupyter notebook file diff_eq_plot.ipynb includes the code for numerically solving the Duffing equation (Eq. 30 in the paper) using RK4, the following Fourier analysis, and plotting the figures in the paper.
To simulate MQC dynamics within the MF model, go to the MQC folder and execute:
python main.py
In the function Wigner() in mixQC_MF_Foc.py, you can choose to use Wigner sampling or the focused sampling.
The parameters can be changed in input.py.
Alternatively, to run a simulation with quantum exact reference (or CISD), go to Quantum folder and execute:
python Quantum_CISD.py
The parameters can be changed in input.py.