Microscopic-macroscopic Connection in High-harmonic Generation: Applications to Organic and Biological Molecules
il y a 2 jours
**Microscopic-Macroscopic Connection in High-Harmonic Generation: Applications to Organic and Biological Molecules**:
- Réf **ABG-131790**
- Sujet de Thèse
- 08/05/2025
- Contrat doctoral
- Laboratoire de Chimie Theorique
- Lieu de travail- Paris - Ile-de-France - France
- Intitulé du sujet- Microscopic-Macroscopic Connection in High-Harmonic Generation: Applications to Organic and Biological Molecules
- Champs scientifiques- Chimie
- Physique
**Description du sujet**:
Dans ce projet, nous visons à établir un lien entre la réponse microscopique des molécules individuelles et la propagation macroscopique des champs harmoniques dans un milieu, afin de développer une description théorique complète de la spectroscopie de génération d’harmoniques d’ordre élevé (HHG). Cette approche intégrée nous permettra de mieux comprendre les processus physiques sous-jacents en prenant en compte à la fois les interactions électroniques à l’échelle moléculaire et les effets de propagation dans des environnements expérimentaux réalistes. Nous appliquerons cette méthodologie à l’étude de la génération d’harmoniques dans des molécules organiques et biologiques, ce qui nous permettra d’explorer leur structure électronique et leur dynamique ultrarapide. Cette approche offrira un aperçu détaillé des processus d’ionisation, de cohérence électronique et de réactivité chimique.
**Nature du financement**:
- Contrat doctoral
**Précisions sur le financement**:
**Présentation établissement et labo d'accueil**:
- Laboratoire de Chimie Theorique
Laboratoire de Chimie Theorique, Sorbonne Université Paris France
Le projet requiert des compétences interdisciplinaires combinant chimie théorique, physique. Solide formation en mécanique quantique et méthodes ab initio appliquées aux systèmes moléculaires. Maîtrise des langages de programmation scientifique (Python et Fortran) et des logiciels de calcul quantique. Aptitude au travail collaboratif avec des chercheurs issus de différentes disciplines, notamment en lien avec le groupe de Dr. Vozzi pour les expériences et celui de Dr. Labeye pour la résolution des MWE. Bonne communication scientifique, avec des compétences en rédaction et présentation de résultats. Esprit analytique et rigueur dans le développement et la validation des modèles théoriques.
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