External resources

Useful links for DFT, Quantum ESPRESSO and TCAD device engineering.

Quantum ESPRESSO

• Official site
• User manual
• Download QE
• QE tutorial (pranabdas)
• QE resources

Theory & papers

• Gonze & Lee (1997) — Phys. Rev. B 55, 10355
• QUANTUM ESPRESSO: a modular and open-source software project

Materials databases

• Materials Project
• Materials Project API — MP_API_KEY required

TCAD

• Synopsys Sentaurus
• DEVSIM — open-source 1D device validation
• nanoHUB — nanotechnology simulation platform; our diode and transistor outputs were compared here for validation

Community

• GitHub — QE_to_TCAD
• Issues

Citation

@software{apebridge2024,
  title={QE-to-TCAD: Automated Quantum ESPRESSO to TCAD Pipeline},
  author={Lauryne},
  year={2024},
  url={https://github.com/LauryneEklou/QE_to_TCAD}
}