Citation

If you use AtomQC in your research, please cite:

@article{choudhary2021quantum,
  title   = {Quantum computation for predicting electron and phonon properties of solids},
  author  = {Choudhary, Kamal},
  journal = {Journal of Physics: Condensed Matter},
  volume  = {33},
  number  = {38},
  pages   = {385501},
  year    = {2021},
  doi     = {10.1088/1361-648X/ac1154}
}

References & links

• 📄 Paper: J. Phys.: Condens. Matter 33, 385501 (2021)
• 📄 Related: AtomGPT and generative materials design, J. Comput. Chem. (2025), doi:10.1002/jcc.70202
• 🌐 Web app: atomgpt.org/quantum
• 📓 Colab notebook: Qiskit-based electronic bandstructure
• 🧰 JARVIS-Tools: github.com/usnistgov/jarvis
• ⚛️ Qiskit: qiskit.org

License

Distributed under the terms of the LICENSE included in the repository.