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Quantum Chemistry Course

Quantum Chemistry Course
flexible workload from 4 to 360h
valid certificate in your country

What will I learn?

Gain key skills in quantum chemistry to analyse and forecast electronic structures in conjugated molecules. Study Hückel, semiempirical, Hartree-Fock, post-HF, and DFT methods. Apply them to calculate geometries, spectra, ionisation energies, and excitations. Develop practical workflows, verify outcomes, and present findings effectively for dependable computational research.

Elevify advantages

Develop skills

  • Use Hückel and semiempirical methods to quickly predict π-electron systems.
  • Choose ab initio and DFT methods balancing accuracy, cost, and properties.
  • Calculate and analyse HOMO-LUMO gaps, spectra, and electronic properties.
  • Develop strong quantum chemistry workflows for setup, optimisation, and fixes.
  • Validate and document computational results clearly and reproducibly.

Suggested summary

Before starting, you can change the chapters and workload. Choose which chapter to start with. Add or remove chapters. Increase or decrease the course workload.
Workload: between 4 and 360 hours

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