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GREECEA non-comprehensive list of groups doing research in theoretical chemistry Greece. University of Crete Department of Chemistry G. E. Froudakis, Associate Professor Material’s Modelling and Design for Energy and Environment applications S. Farantos, Professor Dynamics and spectroscopy of vibrationally highly excited small polyatomic molecules.
Georgios Kopidakis, Assist. Professor Computational materials science; superhard materials, optoelectronics, catalysis, and ultra-fast energy transfer Ioannis N. Remediakis, Assist. Professor Computational materials science; superhard materials, optoelectronics, catalysis, and ultra-fast energy transfer Foundation of Research and Technology Hellas Institute of Electronic Structure and Leasers A. Andriotis, Researcher A, Tight Binding Molecular Dynamics calculation in clusters and nanomaterials National Center for Scientific Research “DEMOKRITOS” Y. Economou, Researcher A’ , Molecular thermodynamics and modelling of Materials Y. Lazarou, Researcher B’ ,Computational Atmospheric Chemistry Th. Steriotis, Researcher B’ ,Computer simulations of Molecules and Materials A. Stubos, Researcher A’ ,Mesoscopic simulations of materials M. Kainourgiakis Researcher C’ , Computer simulations of Molecules and Materials A. Provata Researcher B’ ,Molecular simulations
Y. Komnimos, Director of Research Atomic Physics Theodoros Mercouris, Director of Research Dynamics of Atoms and small Molecules in Laser fields N.N. Lathiotakis, Associate Researcher Density and Density Matrix Functional Methods Ioannis D. Petsalakis, Director of Research Processes in excited states of molecules, carbon nanostructures and hybrid systems E.D. Simantiras, Associate Researcher Computational Chemistry on Inorganic Materials Giannoula Theodorakopoulos, Director of Research Processes in excited states of molecules, carbon nanostructures and hybrid systems A. Vegiri, Senior Researcher Molecular dynamics in water and glasses
Manthos Papadopoulos, Director of Research Development of methods for the correlation, vibrational and relativistic correction to the linear and non-linear (NLO) optical properties of molecules.
A. Mavridis. Professor Accurate ab-initio calculations on small molecules I. Samios, Professor Statistical Mechanics-Molecular Dynamics & Monte Carlo Methods in condensed Phase
D. Theodorou , Professor Multiscale modelling and simulation of amorphous synthetic polymers in the melt and glassy states.
G. Maroulis, Professor, Molecular properties of atoms, molecules and clusters University of Ioannina Department of Chemistry Agnie M. Kosmas, Professor, Quantum mechanical characterization of species in Atmospheric Chemistry, Catalysis, Bioinorganic Chemistry etc Marios K. Kosmas, Professor, Mathematical analytical models in Macromolecular Chemistry Costas Vlahos, Assis. Professor, Computer simulations in Macromolecular Chemistry A.K. Tsipis, Assis Professor, Quantum Chemistry Applications in Inorganic Chemistry V.S. Melissas, Assis. Professor, Quantum Chemistry Applications
G. Evagelakis, Assoc. Professor, Computer simulations of materials and surfaces Department of Material Science Ch. Lekka, Lecturer, Computer simulations of materials and surfaces D. Papageorgiou, Assis. Professor, Computational methods in Material Science
K. Tsipis, Professor , Applications of Quantum Chemistry in Inorganic systems E. Bakalbassis, Professor, Quantum Chemistry Applications M. Sigalas, Assoc. Professor, Quantum Chemistry Applications G. Katsoulos, Professor, Quantum Chemistry Applications M. Pagitsas, Professor, Statistical mechanics and Electrodynamics Department of Chemical Engineering G. Karatassos, Assis. Professor, Computer simulations in Macromolecular Chemistry End March 12, 2009 MOROCCO Listed are the most active groups in the field of Quantum Molecular Sciences
SOUTH AFRICA The leading groups in the field in South Africa: Kevin Naidoo (University of Cape Town): includes Gerhard Venter (lecturer); 2 postdocs; 4 Phds, 4 M.Sc.s: Computational Method Development and Applications in the following areas; Reaction Dynamics; Macromolecular Folding; Solution Chemistry (CHARMM, GAMESS- UK interface development etc)
Jan Dillen (University of Stellenbosch) Group Size ~ 3 students: Molecular Conformation; electronic structure (GAUSSIAN) Petrie Steynberg (SASOL Technologies): 7 full time computational chemists that make up the R&D computational support for South Africa's leading pertrochemical company: Transition Metal Reactions - (Accelrys, VASP etc) Phuti Ngoepe (University of Limpopo): Group size ~5 students and 2 postdocs (Accelrys, GAUSSIAN)
Manie Vosloo (University of the North-West) ~ 4 students: reactions and conformations linked to experiments (SPARTAN, GAUSSIAN) Gert Kruger (University of Kwazulu Natal) ~ 4 students: reactions and conformations linked to experiments (GAUSSIAN) Peet van Rooyen (University of Pretoria) ~ 2 students - Reactions and Molecular conformation (GAMESS-US and GAUSSIAN) Gideon Steyl (University of the Orange Free State) ~ 4 students: reactions and conformations Kevin Naidoo is the South African Research Chair in Scientific Computing funded by the national department of Science and technology |