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M1 & M2 Internships in AIMD simulations, 201 ... (No replies)

gaigeot
9 years ago
gaigeot 9 years ago

The group “Theory and Modelling” at the University of Evry-Paris Saclay (LAMBE, UMR CNRS 8587) is currently seeking candidates for Master M1 & M2 internships.

The group is internationally recognized for its expertise in ab initio molecular dynamics simulations (AIMD: DFT-MD, MP2-MD, semi empirical-MD, QM-MM-MD), with original research activities in the gas phase, liquid phase and at interfaces between solids and liquids, or between liquids and air. 4 ANR funding are currently active, 2 of them in collaborative works with the USA, 1 with Germany, and 1 with IFPEN petroleum company.

M1 & M2 students interested in the following research activities should contact us, as soon as possible. Internships salaries are 550€/month (secured from the lab), and M2 students with an excellent track record will also be able to apply to LABEX CHARM3AT for alternative source of funding (deadline end of October). PhD positions subsequent to the M2 Internships will be opened through the Doctoral School “Chemical Sciences” 2MIB (http://www.universite-paris-saclay.fr/fr/formation/doctorat/sciences-chimiques-molecules-materiaux-instrumentation-et-biosystemes-2mib).

Opened research topics for internships:

- AIMD of the anharmonic vibrational spectroscopy and vibrational energy relaxation of gas phase molecules and clusters. Contact [email protected]

- AIMD and QM-MM-MD of Collision Induced Dissociation of peptides in the gas phase. Contact [email protected]

- AIMD of oxide/liquid water interfaces for applications to heterogeneous catalysis. Contact [email protected]

- AIMD of oxide/liquid water or air/liquid water interfaces for non-linear spectroscopy investigations. Contact [email protected]

- AIMD for bimolecular reactivity related to formation of bio-organic molecules in the interstellar medium. Contact [email protected]

- Force field developments for structure and dynamics of ions in organic solvents. Contact [email protected]

Contacts are the two heads of the group “Theory and Modelling”:

Prof Marie-Pierre Gaigeot, [email protected], website: http://mpgaigeot-research.fr/

Dr Riccardo Spezia, [email protected], website: http://www.lambe.univ-evry.fr/spip.php?rubrique57

Group web site: http://www.lambe.univ-evry.fr/spip.php?article248




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Ab initio (from electronic structure) calculation of complex processes in materials