Automating Computational Chemistry Workflows via OpenClaw and Domain-Specific Skills

Mingwei Ding, Chen Huang, Yibo Hu, Yifan Li, Zitian Lu, Xingtai Yu, Duo Zhang, Wenxi Zhai, Tong Zhu, Qiangqiang Gu, Jinzhe Zeng

Open source

DOI
10.1021/acs.jctc.6c00622
Published
2026-06-09
Container
Journal of Chemical Theory and Computation
Publisher
American Chemical Society (ACS)
Open access
unknown

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BibTeX

@article{allodium:10.1021/acs.jctc.6c00622,
  title = {Automating Computational Chemistry Workflows via OpenClaw and Domain-Specific Skills},
  author = {Mingwei Ding and Chen Huang and Yibo Hu and Yifan Li and Zitian Lu and Xingtai Yu and Duo Zhang and Wenxi Zhai and Tong Zhu and Qiangqiang Gu and Jinzhe Zeng},
  year = {2026},
  journal = {Journal of Chemical Theory and Computation},
  doi = {10.1021/acs.jctc.6c00622},
  url = {https://doi.org/10.1021/acs.jctc.6c00622}
}

RIS

TY  - JOUR
TI  - Automating Computational Chemistry Workflows via OpenClaw and Domain-Specific Skills
AU  - Mingwei Ding
AU  - Chen Huang
AU  - Yibo Hu
AU  - Yifan Li
AU  - Zitian Lu
AU  - Xingtai Yu
AU  - Duo Zhang
AU  - Wenxi Zhai
AU  - Tong Zhu
AU  - Qiangqiang Gu
AU  - Jinzhe Zeng
PY  - 2026
JO  - Journal of Chemical Theory and Computation
DO  - 10.1021/acs.jctc.6c00622
UR  - https://doi.org/10.1021/acs.jctc.6c00622
ER  - 

APA

Ding, M., Huang, C., Hu, Y., Li, Y., Lu, Z., Yu, X., Zhang, D., Zhai, W., Zhu, T., Gu, Q., & Zeng, J. (2026). Automating Computational Chemistry Workflows via OpenClaw and Domain-Specific Skills. Journal of Chemical Theory and Computation. https://doi.org/10.1021/acs.jctc.6c00622

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