Computational Quantum Chemistry for Molecules and Materials

10 credits

Course, Master's level, 1KB273

Spring 2024 Spring 2024, Uppsala, 67%, On-campus, English

Spring 2024 Spring 2024, Uppsala, 67%, On-campus, English For exchange students

Spring 2025 Spring 2025, Uppsala, 67%, On-campus, English

Spring 2025 Spring 2025, Uppsala, 67%, On-campus, English For exchange students

About the course

Computational quantum chemistry (QC) can generate new information as well as deep and detailed understanding within virtually all fields of chemistry. The course covers different electron-correlated QC methods for molecules and condensed-matter systems (solids, surfaces and nanomaterials), e.g., for energy and catalysis applications. Electronic structure from bonds to bands, geometric structure, energetics and vibrations will be discussed. The course starts with a short review of quantum mechanics.

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