Theoretical Chemistry

The main goal of the Theoretical Chemistry group, is to achieve the ability to predict the outcome of chemical reactions involving hydrogen from first principles. This goal is important in almost all fields of chemistry and in many fields of physics. Research themes include the production and storage of hydrogen, quantum dynamics of dissociative chemisorption of hydrogen and other diatomic molecules on metal surfaces, quantum dynamics of dissociative chemisorption of CH4 on metal surfaces and reaction of dynamics of molecules on ice.

Administrative office: 

Michelle van der Haar
t: +31 (0)71 527 4292
e: m.haar [at] chem.leidenuniv.nl

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