Quantum Chemistry Course
Gain mastery in quantum chemistry techniques to forecast spectra, energies, and structures of conjugated molecules. Explore Hückel, DFT, and ab initio approaches, select appropriate theory levels, and create dependable workflows for research and innovative chemical design. This course equips you with practical skills for reliable computational studies in chemistry, ensuring publishable results through hands-on application and validation.
flexible workload of 4 to 360h
valid certificate in your country
What will I learn?
Master key quantum chemistry tools to grasp and predict electronic structures in conjugated systems. Dive into Hückel and semiempirical methods, Hartree–Fock, post-HF, and DFT. Apply these to calculate geometries, spectra, ionisation energies, and excitations. Develop practical workflows, verify outcomes, and communicate findings effectively for trustworthy, publication-ready computational research.
Elevify advantages
Develop skills
- Apply Hückel and semiempirical methods to predict π-systems quickly and reliably.
- Choose ab initio and DFT methods to balance accuracy, cost, and desired properties.
- Calculate and analyse HOMO–LUMO gaps, spectra, and vital electronic properties.
- Develop strong quantum chemistry workflows: setup, optimisation, and fixing issues.
- Validate and present computational results with clear, repeatable records.
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 workloadWhat our students say
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