PhD in Theoretical Chemistry (36 months) M/F
New
- FTC PhD student / Offer for thesis
- 36 mounth
- BAC+5
This offer is available in English version
This offer is open to people with a document recognizing their status as a disabled worker.
Offer at a glance
The Unit
Laboratoire de Chimie et Physique Quantiques
Contract Type
FTC PhD student / Offer for thesis
Working hHours
Full Time
Workplace
31062 TOULOUSE
Contract Duration
36 mounth
Date of Hire
01/10/2026
Remuneration
2300 € gross monthly
Apply Application Deadline : 22 June 2026 23:59
Job Description
Thesis Subject
At a time when quantum computing and nanoscale information storage are experiencing unprecedented growth, the identification of new molecular platforms for quantum information processing has become a major challenge. Molecular magnets, nanoscale architectures composed of
a small number of metal ions, stand out due to their remarkable magnetic bistability and their potential as quantum bits (qubits).
However, their practical use is currently limited by relaxation and decoherence processes, which govern the lifetime of quantum states (characterized by the T₁ and T₂ times). Understanding and quantifying the microscopic mechanisms underlying decoherence remains a key scientific challenge.
This PhD project aims to investigate these mechanisms using advanced theoretical chemistry methods. Particular emphasis will be placed on spin–phonon interactions, as well as hyperfine and superhyperfine couplings. Special attention will be devoted to identifying key physico-chemical
parameters (such as covalency, hybridization, structure, nuclear spins, etc.) that can be tuned to optimize quantum properties.
In the perspective of actively controlling these systems, their response to external perturbations— especially electric fields—will also be studied, with the goal of exploring new strategies for manipulating spin states at the molecular scale.
The project will rely on a broad range of theoretical methods, including high-accuracy electronic structure methods (correlated and relativistic approaches), phonon calculations, and modeling of spin–phonon interactions as well as fine and hyperfine couplings.
At the interface between theoretical chemistry and quantum technologies, this project aims to contribute to the development of new molecular materials for quantum information processing.
The candidate should have a strong interest in theoretical chemistry methodologies and physico-chemical properties of matter. Programming skills (Fortran, C, Python) will be appreciated
Your Work Environment
The research will be conducted within the SEM group (6 permanent staff members, including 2 emeritus professors) at the LCPQ (30 permanent staff members). The SEM group develops theoretical chemistry approaches to study the magnetic properties of complexes or materials composed of transition metals, lanthanides, or actinides.
Constraints and risks
No particular constraints or risks
Compensation and benefits
Compensation
2300 € gross monthly
Annual leave and RTT
44 jours
Remote Working practice and compensation
Pratique et indemnisation du TT
Transport
Prise en charge à 75% du coût et forfait mobilité durable jusqu’à 300€
About the offer
| Offer reference | UMR5626-NICSUA-003 |
|---|---|
| CN Section(s) / Research Area | Physical chemistry, theoretical and analytic |
About the CNRS
The CNRS is a major player in fundamental research on a global scale. The CNRS is the only French organization active in all scientific fields. Its unique position as a multi-specialist allows it to bring together different disciplines to address the most important challenges of the contemporary world, in connection with the actors of change.
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