Phd in Computational Chemistry

il y a 7 jours

Nantes, France Nantes Université Temps plein

**PhD in computational chemistry (M/F) - Photochrome optimization accouting for environment**:

- Réf **ABG-131836**
- Sujet de Thèse
- 12/05/2025
- Contrat doctoral
- Nantes Université
- Lieu de travail- NANTES - Pays de la Loire - France
- Intitulé du sujet- PhD in computational chemistry (M/F) - Photochrome optimization accouting for environment
- Champs scientifiques- Chimie

**Description du sujet**:
The state-of-the-art ab initio methods (DFT and wavefunction approach) will be employed to rationnalize key photochromic features such as absorption, emision, thermal back reaction or/and event photoconversion rates. A special focus will be dedicated to the treatement of the environment using implicit, explicit and/or machine learning tools in order to rationnalized their impact on the considered photoswitch. Here we will consider as environement various solvent but also supramolecular structures as photocages or switch encapsulation.

**Prise de fonction**:

- 01/10/2025

**Nature du financement**:

- Contrat doctoral

**Précisions sur le financement**:
**Présentation établissement et labo d'accueil**:

- Nantes Université

The recruited person will join the Modeling and Spectroscopy (ModES) team of**the CEISAM laboratory of Nantes Université** which is a rich environment for scientific discussions. This dynamic team, currently composed of 8 permanent staff, ~12 (post)doctoral students, organizes weekly seminars and events. Funding is also available to travel and communicate your results at conferences.

**Nantes Université** is a recognized institution and a major research center in Western France. With 42,000 students and 3,200 lecturers and researchers, Nantes Université seeks to meet today's major challenges. Located near the Atlantic coast and 2 hours from Paris by train, Nantes is a large city regularly ranked for its quality of life and well-known for its cultural scene.

PhD students in physics, chemistry and geosciences receive training in internationally recognized laboratories associated with the CNRS. They also benefit from **a wage of €2 200 gross per month.**Within the Graduate School 3MG**, students are able to attend courses dedicated to research and innovation and take part in events and meetings in France or abroad to develop their professional network.

**Site web**:
**Etablissement délivrant le doctorat**:

- Nantes Université- 12/06/2025

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