KEMSYVHPC Advanced Studies in High Performance Computing (Chemistry) (86+ cr)

• Computational Chemistry theory and methods related to topics by choice: catalysis, reactions, thermodynamics, optical spectroscopy, light-matter interaction, modeling,
• parallel and distributed multi-core calculations and programming,
• data mining and machine learning methods,
• quantum computing: method development and algorithms.

Chemistry specialisation concentrates building solid, advanced level theoretical, experimental, methodological and/or computational knowledge and skills on different sub-fields in Chemistry like catalysis, reactions, thermodynamics, and optical spectroscopy. Together with the high-performance computing core studies and optional advanced level studies the specialisation will give an excellent basis for applying Computational Chemistry methods in high-performance computing environments, developing Computational Chemistry methods for high-performance multi-core systems and understanding the role and the possibilities of cutting-edge technologies and methods like quantum computing and artificial intelligence in Computational Chemistry.