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Postdoc position : Quantum trajectories for non-adiabatic dynamics

par Nord & Ile de France - 24 novembre 2020

Quantum trajectories for non-adiabatic dynamics

An ANR-funded postdoc position of duration 14 months is available at the Institut de Chimie Physique (ICP) of the University Paris-Saclay in collaboration with the Laboratoire Univers et Particules de Montpellier (LUPM) of the University of Montpellier.

The project aims at addressing the problem of quantum nuclear effects in low-temperature reactive processes in condensed phase [1]. In particular, we plan to extend the most recent quantum-trajectory formulation (proposed in [1, 2] and applied successfully to a cold chemical reaction model [3]) in the treatment of complex quantum-dynamics processes. The envisaged theoretical and computational developments will focus on incorporating effects due to electronic excited states in the existing theory, by combining the quantum-trajectory idea (exploiting the computational convenience of a trajectory-based approach) with the formalism of the exact factorization of the electron-nuclear wavefunction [4, 5].

We are looking for applicants holding a PhD in Physics or Chemistry, potentially with a background in molecular physics and/or chemical physics and/or theoretical chemistry. The successful candidate will be involved in theoretical and computational developments. Therefore, good analytical skills and experience in programming (Fortran, bash, python) will be highly appreciated. Knowledge of English is required. The research work will be conducted under the joined supervision of Dr. Federica Agostini (ICP) and Dr. Yohann Scribano (LUPM) with the participation of Dr. David Lauvergnat (ICP), thus the successful candidate will be expected to travel often between Paris-Saclay and Montpellier (if the health and sanitary situation will allow it). The salary will be adjusted depending on the experience of the candidate according to the CNRS grid salary.

The position will be available starting early 2021. Candidate’s selection is now open and applications will be reviewed until the vacancy is filled.

[1] B. Poirier. Bohmian mechanics without pilot waves. Chem. Phys., 370:4–14, 2010. [2] J. Schiff and B. Poirier. Communication : Quantum mechanics without wavefunctions. J. Chem. Phys., 136:031102, 2012. [3] Y. Scribano, G. Parlant, and B.Poirier. Communication : Adiabatic quantum trajectory capture for cold and ultra- cold chemical reactions. J. Chem. Phys., 149:021101, 2018. [4] A. Abedi, F. Agostini, Y. Suzuki, and E. K. U. Gross, Phys. Rev. Lett., 110:263001, 2013. [5] S. K. Min, F. Agostini, and E. K. U. Gross, Phys. Rev. Lett., 115:073001, 2015.