法国蒙彼利埃大学量子分子动力学博士后

法国蒙彼利埃大学量子分子动力学博士后

蒙彼利埃大学（法文：Université de Montpellier；英文：University of Montpellier）坐落于法国南部朗格多克-鲁西永地区首府蒙彼利埃，1289年由教皇尼古拉四世颁布法令宣布正式成立，是世界上最古老的大学之一，地位与巴黎大学、牛津大学、博洛尼亚大学齐名，为法国卓越大学计划高校，科英布拉集团创始成员和欧洲大学联盟重要成员，拥有包括蒙彼利埃环境研究天文台、法国空间大学中心（CSU）、法国传染病与抗感染研究中心（CEMIPAI）等17 个学院、学校和研究机构以及 72 个研究所，教学科研实力均处于法国顶尖、欧洲一流水平。

Post-Doc In Quantum Molecular Dynamics (M/W)

Universities And Institutes Of France

Description

Organisation/Company: Universite de Montpellier

Research Field: Physics

Researcher Profile: First Stage Researcher (R1)

Application Deadline: 21/11/2022 23:00 - Europe/Brussels

Location: France › Montpellier

Type Of Contract: Temporary

Job Status: Full-time

Hours Per Week: 36

Eu Research Framework Programme: H2020

Reference Number: 2022-R0451

An ANR-funded postdoc position of duration 24 months is available at the LaboratoireUnivers et Particules de Montpellier (LUPM) of the University of Montpellier in collaboration with the Institut de Chimie Physique (ICP) of the University Paris-Saclay.

The project aims at addressing the problem of quantum nuclear effects (e.g., Tunneling, effect) in the treatment of complex molecular reactive scattering processes relevant in a range of important gas-phase environments (in the atmosphere, in the interstellar space and in combustion processes)

The goal of this project is to combine a high dimensional sparse grid scheme (e.g., Smolyak scheme as recently applied to a multi-dimensional reactive scattering model with absorbing boundary conditions 6) with the most recent quantum-trajectory formulation of molecular quantum dynamics. This reformulation was proposed in 1,2 and applied successfully to a cold chemical reaction model 3 as well as to non-adiabatic Tully's models using the exactfactorization of the electron-nuclear wavefunction 4,5,7.

The envisaged theoretical and computational developments will focus on accurate and efficient calculation of quantum force solely from the mapping between trajectories changing distribution in configuration space, and their fixed distribution with respect to Lagrangian coordinates 2. A second focus will be the development of a full-fledged algorithm (exploiting the computational convenience of a trajectory-based approach) and able to perform quantum dynamics beyond the Born-Oppenheimer approximation.

Offer Requirements

REQUIRED LANGUAGES

FRENCH: Good

Skills/Qualifications

Applicants should have a PhD in Physics or Chemistry, potentially with a background in theoretical chemistry and/or in chemical physics and/ in molecular physics. The hired postdoc will be involved in theoretical and computational developments and should have prior knowledge on at least one quantum simulation method for molecular systems. Also, good analytical skills and experience in programming (Fortran, bash, python, HPC) will be highly appreciated. Knowledge of English is required.

Specific Requirements

PhD degree

Contact Information

Organisation/Company: Universite de Montpellier

Department: Human Resources

Organisation Type: Higher Education Institute

Website: https:// www. umontpellier.fr/

Country: France

City: Montpellier

Postal Code: 34000

Street: 163 rue AugusteBroussonnet

Phone: +33 04 67 14 45 35

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