A 4 year PhD position is available in the Theoretical Physical Chemistry group at the University of Liege in the theory and modeling of single molecule mechanochemistry. The research will aim at developing theoretical and computational tools based on quantum chemistry and molecular dynamics to provide understanding and predict the response of molecular systems to external mechanical forces, as applied using AFM single molecule force spectroscopy. Emphasis will be put on covalent mechanochemistry and how to control reactivity with mechanical strain. The theoretical work will be performed in close collaboration with AFM force spectroscopy of simple click reactions experiments carried at the University of Liège in the group of Prof. A.S. Duwez in the framework of a joint experimental-theoretical project.
Required expertise : Quantum Chemistry and/or Molecular Dynamics, experience in coding.
For more information, contact directly Francoise Remacle, [log in to unmask]
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