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PhD position - Paris - TD-DFT study of mechanoc ... (No replies)
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A three year PhD position is available in the Theoretical Chemistry and Modeling group (Equipe Chimie Théorique et Modélisation) at the Ecole Nationale Supérieure de Chimie de Paris (France) under the supervision of Dr. Aurelie PERRIER and Prof. Carlo ADAMO.
The PhD candidate will work on the theoretical description of the excited state properties of various mechanochromic molecular systems. Her/his objectives will be to define a suitable computational protocol which will be able to describe -qualitatively and quantitatively- their behavior under diverse mechanical constraints. The PhD candidate will apply several theoretical approaches based on Density Functional Theory (DFT and TD-DFT) in order to design new molecular actuators.
The successful candidate should possess a good background in physical and/or computational chemistry.
The position will start from october 2016. Applications, which should include a CV and two appropriate references, should be sent to [email protected] and [email protected]