Quantum Chemistry Course
This course equips you with quantum chemistry techniques to predict spectra, energies, and structures of conjugated systems. Explore Hückel, DFT, and ab initio approaches, select appropriate theory levels, and create solid workflows for scientific research and chemical innovation. Ideal for advancing your expertise in computational chemistry with reliable, practical applications.
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.What our students say
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