{"id":16568713,"url":"https://github.com/sherrylixuecheng/chem","last_synced_at":"2026-02-18T13:31:32.806Z","repository":{"id":200456916,"uuid":"651152691","full_name":"sherrylixuecheng/CHEM","owner":"sherrylixuecheng","description":"This is the github repo to support the manuscript \"Towards chemical accuracy with shallow quantum circuits: A Hamiltonian engineering approach\"","archived":false,"fork":false,"pushed_at":"2023-10-16T08:51:41.000Z","size":83418,"stargazers_count":7,"open_issues_count":0,"forks_count":1,"subscribers_count":1,"default_branch":"main","last_synced_at":"2025-10-14T21:33:01.029Z","etag":null,"topics":["quantum-chemistry","quantum-circuits","quantum-computing"],"latest_commit_sha":null,"homepage":"","language":"Jupyter Notebook","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":null,"status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/sherrylixuecheng.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":null,"code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null}},"created_at":"2023-06-08T15:58:14.000Z","updated_at":"2025-09-19T23:18:28.000Z","dependencies_parsed_at":"2023-10-17T01:56:13.819Z","dependency_job_id":null,"html_url":"https://github.com/sherrylixuecheng/CHEM","commit_stats":null,"previous_names":["sherrylixuecheng/chem"],"tags_count":0,"template":false,"template_full_name":null,"purl":"pkg:github/sherrylixuecheng/CHEM","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/sherrylixuecheng%2FCHEM","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/sherrylixuecheng%2FCHEM/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/sherrylixuecheng%2FCHEM/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/sherrylixuecheng%2FCHEM/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/sherrylixuecheng","download_url":"https://codeload.github.com/sherrylixuecheng/CHEM/tar.gz/refs/heads/main","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/sherrylixuecheng%2FCHEM/sbom","scorecard":null,"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":286080680,"owners_count":29580808,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2026-02-18T08:38:15.585Z","status":"ssl_error","status_checked_at":"2026-02-18T08:38:14.917Z","response_time":162,"last_error":"SSL_read: unexpected eof while reading","robots_txt_status":"success","robots_txt_updated_at":"2025-07-24T06:49:26.215Z","robots_txt_url":"https://github.com/robots.txt","online":false,"can_crawl_api":true,"host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"}},"keywords":["quantum-chemistry","quantum-circuits","quantum-computing"],"created_at":"2024-10-11T21:11:28.315Z","updated_at":"2026-02-18T13:31:32.788Z","avatar_url":"https://github.com/sherrylixuecheng.png","language":"Jupyter Notebook","funding_links":[],"categories":[],"sub_categories":[],"readme":"# CHEM\n\n\u003cp align=\"center\"\u003e\n  \u003ca href=\"https://github.com/sherrylixuecheng/CHEM\"\u003e\n    \u003cimg width=80% src=\"https://github.com/sherrylixuecheng/CHEM/blob/main/workflow.png\"\u003e\n  \u003c/a\u003e\n\u003c/p\u003e\n\n\n## Overview\nThis repository includes the codes and results for the manuscript:\n***Towards chemical accuracy with shallow quantum circuits: A Clifford Hamiltonian engineering approach***\n\n## Installation and usage\nThis repository requires to install two open-sourced packages: \n\n* [TenCirChem](https://github.com/tencent-quantum-lab/tencirchem): ```pip install tencirchem``` \n\n\n## Content list\n\n### Files\n\n* [clifford_autotransform.py](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.\n\n* [scipy_opt.py](scipy_opt.py): This is the python file to generate the results default HEA circuit without CHEM. \n\n* [plot.ipynb](plot.ipynb): This is a a jupyter notebook to generate all the plots used in the paper.\n\n* [stats.xlsx](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.\n\n\n### Folders\n\n* [results](results): each subfolder contains the collected results for the corresponding. \n  - [clifford_autotransform](results/clifford_autotransform): to collect the results with CHEM method\n  - [clifford_init](results/clifford_init): to collect the results with non-transformed Clifford.\n  - [random_init](results/random_init): to collect the results without CHEM and directly using random initial guesses to optimize HEA.\n  - Several ``.npy`` files summarizes the stats of the corresponding stats\n\n* [figures](figures): contains the figures generated by [plot.ipynb](plot.ipynb) in this folder.\n\n## Please cite us as\n\n```\n@article{sun2023chem,\n  title={Towards chemical accuracy with shallow quantum circuits: A Clifford Hamiltonian engineering approach},\n  author={Sun, Jiace and Cheng, Lixue and Li, Weitang},\n  journal={arXiv preprint arXiv:2306.12053},\n  year={2023}\n}\n```\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fsherrylixuecheng%2Fchem","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fsherrylixuecheng%2Fchem","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fsherrylixuecheng%2Fchem/lists"}