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Prof.dr. G.J. Kroes Person

Prof.dr. G.J. Kroes

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Expertise Theoretical chemistry; Dynamics of chemical reactions; Production and storage of hydrogen; Quantum dynamics; Computers
Expertise (NL) Theoretische chemie; Dynamica van chemische reacties; Productie en opslag van waterstof; Quantumdynamica; Computers

Active as

Professor
Organisation Leiden Institute of Chemistry (UL)
Chair (EN) Theoretical chemistry
Chair (NL) Theoretische chemie
Phone +31-71-5274396
Email g. j. kroes -at- chem. leidenuniv. nl
URL http://theor.lic.leidenuniv.nl/people/kroes

Current research

(the most recent research is at the top)
Project leader Towards accurate predictive calculations on reactions of molecules on metal surfaces
Project leader AIMD calculations on hydrogen-copper scattering
Project leader Dynamics of chemical reactions involving hydrogen
Project leader The role of excited electronic and vibrational states in reactions at surfaces
Project leader Six-dimensional quantum dynamics calculations on H2 + Cu(111)
All current research..

Completed research projects

(the most recent research is at the top)
Project leader Mechanisms of hydrogen storage in alanates; a first principles approach
Project leader Hydrogen storage in nanoporous clathrate materials
Project leader Parallellisation SURFSCAT
Project leader Quantum dynamics of chemical reactions
Project leader Parallelization and optimization of wave packet code for moleculesurface scattering for use on Teras, Aster, Solo and Lisa
All completed research..

Classification

A34400 Chemical products
D13700 Theoretical chemistry, quantum chemistry

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