Nicolas Sieffert
Lecturer (Maître de Conférences)
Université Joseph Fourier
Grenoble. France.
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| Interests |
RESEARCH INTERESTS
Computational studies of:
• Reactivity in homogeneous catalysis
• Ions complexation in solution and at interfaces
• Solvent effects
• Structure and dynamics of liquid-liquid and solid-liquid interfaces
• Solvation properties of ionic liquids
COMPUTATIONAL METHODS
• Ab initio molecular dynamics (Car-Parrinello MD, CP2K)
• Classical molecular dynamics (AMBER)
• Free energy calculations (TI, metadynamics)
• Static DFT calculations
• Scientific programming (C, Perl)
FUNDINGS
• Université Joseph Fourier
• CNRS
• IDRIS
• HPC-Europa2
• PRACE
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