PhD Scholarship in Theoretical Chemistry: A fully funded 3-year PhD position is available at Aix-Marseille University, France, focusing on understanding the quantum efficiency of photoswitches through multi-scale modeling. The project is part of the Femto-Switch consortium, which brings together researchers from Sweden, Germany, and France to explore the molecular dynamics and excited-state behaviors of photoswitches for potential applications in biomimetic devices.
PhD Scholarship in Theoretical Chemistry: Unveiling the Quantum Efficiency of Photoswitches
Designation:
PhD Candidate in Theoretical Chemistry
Research Area:
Quantum Chemistry, Molecular Dynamics, Excited-State Quantum Dynamics, Photoswitches, Light-Harvesting Devices
Location:
Aix-Marseille University, Marseille, France
University Website
Eligibility/Qualification:
- A Master’s degree (or equivalent) in Chemistry, Physics, or related fields.
- Strong background in theoretical modeling and computational chemistry.
- Experience with molecular dynamics and/or excited-state modeling is desirable.
- Strong interest in theory development and scientific programming.
- Ability to work independently and collaboratively within an international consortium.
- Proficiency in English, with excellent written and oral communication skills.
Job Description:
This 3-year PhD position is dedicated to developing theoretical methodologies to extract quantum yields of photoisomerization in molecular motors, focusing on condensed-phase dynamics. The research involves the following:
- Developing semi-empirical spin-flip methods to model excited states with multiconfigurational character.
- Implementing molecular dynamics simulations using QM/MM in periodic boundary conditions.
- Conducting excited-state quantum dynamics simulations and comparing theoretical results with experimental data from consortium partners.
The candidate will contribute to advancing techniques in excited-state quantum dynamics and molecular simulations.
How to Apply:
Interested candidates should send the following documents to miquel.huix-rotllant@cnrs.fr:
- A cover letter describing research experience, skills, research interests, and motivation.
- A detailed CV, including educational background, academic experiences, and contact details of two references.
- Transcripts from Bachelor’s and Master’s degrees with course marks.
For updates on the position, check the status here: Femto-Switch Openings.
Last Date for Apply:
Applications will be accepted until the position is filled. Early applications are encouraged.
For further inquiries, please contact Miquel Huix-Rotllant at miquel.huix-rotllant@cnrs.fr.
