AI-Assisted Spectroscopy: A Practical Guide for Quantum ESPRESSO Users
Analysis
Key Takeaways
- •AI tools can aid in tasks like calculating IR and Raman spectra using Quantum ESPRESSO.
- •The article emphasizes the importance of verifying AI-generated outputs.
- •It acknowledges that AI performance may vary depending on the environment (OS, libraries).
“AI is a supplementary tool. Always verify the output.”