Quantum Chemistry Course
Dive into quantum chemistry to model structures, energies, and spectra of conjugated systems. Master Hückel and semi-empirical techniques alongside ab initio and DFT approaches. Learn to pick optimal theory levels, create solid workflows, and produce reliable, reproducible results for cutting-edge chemical studies and molecular design.
4 to 360 hours flexible workload
valid certificate in your country
What will I learn?
Gain key skills in quantum chemistry for analysing electronic structures in conjugated molecules. Explore Hückel, semi-empirical, Hartree-Fock, post-HF, and DFT methods. Apply them to calculate geometries, spectra, ionisation energies, and excitations. Develop practical workflows, validate outcomes, and present results effectively for dependable computational research.
Elevify advantages
Develop skills
- Apply Hückel and semi-empirical methods for quick, accurate π-system predictions.
- Choose ab initio and DFT methods to optimise accuracy, cost, and property analysis.
- Calculate and analyse HOMO-LUMO gaps, spectra, and vital electronic properties.
- Develop strong quantum chemistry workflows including setup, optimisation, and fixes.
- Validate results and document findings clearly for reproducible research.
Suggested summary
Before starting, you can change the chapters and the workload. Choose which chapter to start with. Add or remove chapters. Increase or decrease the course workload.What our students say
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