Postdoc position (Marseille) — Nonadiabatic dynamics of excitonic states in chiral hybrid interfaces

Organisation/Company Aix-Marseille Université Research Field Chemistry » Computational chemistry Physics » Condensed matter properties Researcher Profile Recognised Researcher (R2) Positions Postdoc Positions Application Deadline 24 Mar 2026 - 12:00 (Europe/Paris) Country France Type of Contract Temporary Job Status Full-time Hours Per Week 36 Offer Starting Date 15 Sep 2026 Is the job funded through the EU Research Framework Programme? Not funded by a EU programme Is the Job related to staff position within a Research Infrastructure? No

Offer Description

A postdoc position (two years) will be available at Aix-Marseille University (amU), Marseille, co-supervised by Prof. Mario Barbatti (ICR, amU/CNRS) and Dr. Josene Toldo (LCH, Lyon1 University). The start date is September or October 2026 (flexible within that window).

This postdoc is part of ChirExCo (“Induced Chirality by Excitonic Coupling on Chiral Surfaces: A Multiscale Computational Approach”), a PEPR LUMA project aiming to understand how chiral surfaces can induce chiroptical responses in adsorbed achiral chromophores, and what role excitonic coupling and dynamics play in that induction ( ).

Scientific Description:

Experiments have shown that achiral chromophores can exhibit strong circular dichroism and circularly polarized luminescence upon adsorption onto chiral substrates (e.g., helical silica), with an efficiency that depends strongly on molecular packing density. ChirExCo addresses this problem through a multiscale strategy involving several theoretical chemistry approaches, and this postdoc specifically targets the dynamical side: nonadiabatic molecular dynamics (NAMD) of excitonic states in multichromophoric assemblies embedded in chiral environments.

Research Objectives:

The postdoc project focuses on building a robust simulation workflow to study time-dependent evolution of excitonic populations in realistic (or controlled) models of chromophore assemblies near helical silica.

Main objectives include:

• Develop and integrate a NAMD workflow for multichromophoric systems that uses trajectory surface hopping (TSH) in combination with efficient excited-state electronic structure methods.
• Implement and validate interfaces between Newton-X (NAMD platform) and key QM/MM components and external codes.
• Explore low-cost coupling approximations suited for large-scale dynamics and assess their accuracy/robustness in the present context.
• Address the known limitation of independent-trajectory approaches.
• Apply the workflow first to controlled prototype systems, then to more realistic assemblies generated in the project.
• Connect computed dynamical observables to chiroptical signatures and to the parameters that control induction.

The postdoctoral researcher will be based at the Institut de Chimie Radicalaire (ICR, UMR 7273), amU/CNRS, Marseille, France. Co-supervision includes regular research visits to Lyon to work with Dr. Josene Toldo and interact with the ChirExCo consortium (ENS de Lyon, Rennes, Nantes, Marseille).

The project sits at the interface of:

• nonadiabatic dynamics and excited-state theory
• software development for reproducible computational workflows

Where to apply

E-mail

Requirements

Research Field Chemistry » Computational chemistry Education Level PhD or equivalent

Research Field Physics » Condensed matter properties Education Level PhD or equivalent

Skills/Qualifications

• Strong background in quantum chemistry, molecular dynamics, or condensed matter physics.
• Experience with electronic structure methods (e.g., TDDFT, multireference approaches) and/or nonadiabatic molecular dynamics.
• Proficiency in scientific programming (Python, Fortran, or similar).
• Strong analytical and problem-solving skills.
• Ability to work both independently and collaboratively in an interdisciplinary environment.
• Excellent English communication skills (spoken and written).

Specific Requirements

• Computational expertise: Experience with quantum chemistry software (e.g., CP2K, ORCA) and/or molecular dynamics packages.
• Programming skills: Ability to develop and modify simulation codes for nonadiabatic dynamics and exciton transport modeling.
• Collaborative mindset: Willingness to engage in interdisciplinary research, working with theoretical and experimental teams.
• Mobility: Willingness to travel for research visits to ENS de Lyon and collaborate with project partners at Nantes and Rennes.

Languages ENGLISH Level Excellent

Research Field Chemistry » Computational chemistry

Additional Information

• Fully funded postdoc position for two years, including a competitive salary according to French public research contracts.
• Access to high-performance computing (HPC) resources and cutting-edge quantum chemistry and molecular dynamics software.
• Research visits to ENS de Lyon and potential participation in international conferences and workshops.
• Career development opportunities, including mentoring, networking, and skill-building workshops.
• Access to healthcare and employee benefits under the French social security system.

Selection process

• Application Submission: Candidates must submit a complete application, including a CV, cover letter, publication list, and contact information for two referees. Optional: Copies of relevant publications.
• Initial Screening: Applications will be reviewed based on academic background, research experience, and alignment with the project objectives.
• Interviews: Shortlisted candidates will be invited to a virtual interview, during which they will discuss their research experience, technical skills, and motivation for the project.
• Final Decision: The selection committee will evaluate candidates based on their scientific expertise, problem-solving ability, programming skills, and potential for interdisciplinary collaboration. The final selection will consider both technical qualifications and research fit.
• Notification: Successful candidates will receive an official offer, while other applicants will be informed of the outcome.
• Enrollment & Start Date: The selected candidate will be hired at Aix-Marseille University and is expected to start on 15 September 2026 (+1 month flexibility).

Additional comments

Aix Marseille University and UCBL are committed to equal opportunity and diversity, and applications from underrepresented groups in science are strongly encouraged.