Work Description

Data and Code Investigating the Dimensional Dependence of Molecular-Polariton Mode Number

• Authors: Nathanial Lydick (orcid) and Hui Deng (orcid)
• Institution: University of Michigan
• Date: July 16, 2024
• DOI: https://doi.org/10.7302/0d2w-mb79
• License: http://creativecommons.org/licenses/by/4.0/
• Funding: National Science Foundation (DMR 2004287); Gordon and Betty Moore Foundation (GBMF10694)

This work contains the data and code that supports our findings in the paper
"Dimensional dependence of a molecular-polariton mode number".

The dataset was generated with the included code, randomizing positions/energies of the molecules
coupled to a simple model of a cavity. Molecules are assumed to be much smaller than the cavity
wavelength, and the coupling to be proportional to the cavity electric field. Other code numerically
integrates over a simulated cavity dispersion. Polariton modes are obtained by solving for the
eigenvalues of the coupled system. A summary of what each file does is provided below.

Files

• figure1-cavities.py
  • Produces a schematic overview of the cavity setups, polariton dispersion, and transition state theory model. Arrow3D.py contains the code used to plot the arrows in the 3D plots.
• data-energy-disorder.py, data-position-disorder.py
  • Generates the plot-energy-disorder-v3.npz and plot-position-disorder-v2.npz datasets based on a simple simulation of a set of molecules within a cavity with disorder in their mode energies or the molecular positions respectively.
• plot-energy-disorder-v3.npz, plot-position-disorder-v2.npz
  • Stores the random values that were used and the results for plotting.
• figure2-disorder.py
  • Plots the energy and position disorder figures from the data stored in the npz files.
• Figures 3-5.ipynb
  • Calculations for the remaining figures.

Dependencies

Beyond Python 3 and Jupyter Notebook, the code requires numpy, scipy, sympy, mpmath, and matplotlib.
Portions of the code are accelerated with cupy when possible.

To Cite

Paper: N. Lydick, J. Hu, and H. Deng, "Dimensional dependence of a molecular-polariton mode number," J. Opt. Soc. Am. B 41, C247-C253 (2024). https://doi.org/10.1364/JOSAB.524026

Dataset: N. Lydick and H. Deng, “Data and code investigating the dimensional dependence of molecular-polariton mode number,” University of Michigan - Deep Blue Data (2024). https://doi.org/10.7302/0d2w-mb79