CHEM

Overview

This repository includes the codes and results for the manuscript: Towards chemical accuracy with shallow quantum circuits: A Clifford Hamiltonian engineering approach

Installation and usage

This repository requires to install two open-sourced packages:

• TenCirChem: pip install tencirchem

Content list

Files

• clifford_autotransform.py: This is the codes that implement and run the CHEM approach for seven tested electronic structure systems with different circuit depth and different initializations.

• scipy_opt.py: This is the python file to generate the results default HEA circuit without CHEM.

• plot.ipynb: This is a a jupyter notebook to generate all the plots used in the paper.

• stats.xlsx: This is a supplemental excel to summarize the optimized energies and optimized iterations in L-BFGS-B optimization with or without CHEM for different tesed systems.

Folders

• results: each subfolder contains the collected results for the corresponding.

  • clifford_autotransform: to collect the results with CHEM method
  • clifford_init: to collect the results with non-transformed Clifford.
  • random_init: to collect the results without CHEM and directly using random initial guesses to optimize HEA.
  • Several .npy files summarizes the stats of the corresponding stats

• figures: contains the figures generated by plot.ipynb in this folder.

Please cite us as

@article{sun2023chem,
  title={Towards chemical accuracy with shallow quantum circuits: A Clifford Hamiltonian engineering approach},
  author={Sun, Jiace and Cheng, Lixue and Li, Weitang},
  journal={arXiv preprint arXiv:2306.12053},
  year={2023}
}