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Postdoctoral position within the Laboratory for ... (No replies)
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Profile
We are looking for a skillful and highly motivated postdoctoral researcher who obtained a PhD in computational chemistry/physics.
The candidate is expected to:
Conditions of eligibility
Latest starting date: 01/10/2023
Contract : For 12 months, maximum 18 months
Category : Postdoctoral researcher. CANDIDATES MUST HAVE ALREADY A PHD.
Net Salary per month: ~2700 €
Hiring conditions: The candidate must be experiencing an international scientific mobility meaning he/she shall not have resided or carried out his/her main activity (job, studies…) in Belgium for more than 24 months during the last 3 years directly before the first stay as a Postdoctoral fellow (short stays such as holidays, participation in a congress, a short stay in preparation for the postdoctoral stay are not taken into account to verify that this condition is met)”. The first hiring period shall start at the latest exactly 10 years after obtaining the academic degree of doctor, after the defense of a thesis. The maximum period of time mentioned above is extended for one additional year per childbirth and/or adoption.
The candidate will benefit from a postdoctoral grant from the hosting university. This grant will be exempted from taxes but subject to the employee social security.
Research project
The research project that the candidate is going to pursue will take place within a “Action de Recherche Concertée (ARC)” project together with Prof. Ludovic Troian-Gauthier and Prof. Benjamin Elias from the Université Catholique de Louvain. The project itself will deal with the investigation of materials for photo-triggered processes such as clean fuels production, phototherapy, decontamination, and photocatalysis using a joint experimental-computational approach. To do, we will model every elementary electron transfer process taking place in the excited state of these molecules and leading to the formation of radical cation and anion species able to participate in chemical reactions, considering a combination of quantum chemical methods and molecular mechanics/dynamics methods.
References
[1] Morton, C. M.; Zhu, Q.; Ripberger, H.; Troian-Gautier, L.; Toa, Z. S. D.; Knowles, R. R.; Alexanian, E. J.; J. Am. Chem. Soc. 2019, 141, 13253-13260
[2] Troian-Gautier, L.; Swords, W. B.; Meyer, G. J.; Acc. Chem. Res. 2019, 52, 170-179.
[3] Aydogan, A.; Bangle, R. E.; Cadranel, A.; Turlington, M. D.; Conroy, D. T.; Cauët, E.; Singleton, M. L.; Meyer, G. J.; Sampaio, R. N.; Elias, B.; Troian-Gautier, L.; J. Am. Chem. Soc. 2021, 143, 15661-15673.
[4] Olivier, Y.; Yurash, B.; Muccioli, L.; D’Avino, G.; Mikhnenko, O.; Sancho-García, J. C.; Adachi, C.; Nguyen, T. Q.; Beljonne, D.; Physical Review Materials 2017, 1, 075602.
[5] Di Meo, F.; Fabre, G.; Berka, K.; Ossman, T.; Chantemargue, B.; Paloncýová, M.; Marquet, P.; Otyepka, M.; Trouillas, P. ; Pharmacological Research 2016, 111, 471-486.
[6] Di Meo, F. ; Lemaur, V. ; Cornil, J. ; Lazzaroni, R. ; Duroux, J.-L. ; Olivier, Y. ; Trouillas, P. ; J. Phys. Chem. A 2013, 117, 2082.
Laboratory for Computational Modeling of Functional Materials
Prof. Yoann is heading the Laboratory for Computational Modeling of Functional Materials (LCMFM) at the University of Namur since the 1st of July 2019. The LCMFM is part of the Namur Institute for Structured Matter (NISM). The research activities within the LCMFM are focused on the theoretical description of the structural and opto-electronic properties of p-conjugated organic materials in the bulk, at organic/organic interfaces as well as charged and optical excitation dynamics and transport properties. The group develops and applies multiscale computational techniques to investigate these topics, combining first principle electronic structure calculations ((Time-Dependent) Density Functional Theory, wavefunction-based methods,…), molecular dynamics simulations, Kinetic Monte Carlo techniques as well as tight-binding electronic structure calculations beyond the single molecule scale parameterized from first principle calculations.
The research within the LCMFM benefits from the full access to the computing facilities from the “Consortium des Équipements de Calcul Intensif” (CÉCI), a consortium of high-performance computing centers of the Universities from the French Community of Belgium supported by the F.R.S-FNRS and the Walloon Region and the Tier-1 CENAERO supercomputer of the Fédération Wallonie-Bruxelles which are entirely used for theoretical calculations in Chemistry and Physics.
Application
The candidates are requested to send by e-mail to [email protected] before the 1st of August 2023 latest: an updated CV including publications track record together with a motivation letter and two reference letters from professors or previous supervisors.
Complementary information
Prof. Yoann Olivier – Tel : +32(0)81/72 45 34
Email: [email protected]