Description du sujet de thèse

The thesis project titled "Development of Quantum Algorithms for the Electronic Structure of Materials" aims to explore and develop new quantum algorithms for studying the electronic structure of materials. While classical methods are reaching their limits in the face of increasing system complexity, quantum technologies offer promising new perspectives. Embedding methods, which divide a complex system into more manageable subsystems, are particularly interesting and, when combined with quantum algorithms, could enable more precise and efficient simulations. The project's objectives include the development of these quantum algorithms, their integration with embedding methods, validation and benchmarking on model systems, as well as optimization for existing and emerging quantum platforms. The methodology will include a comprehensive literature review, theoretical development, numerical simulations, and collaborations to validate theoretical results. Expected outcomes include the development of new quantum algorithms, their successful integration with embedding methods, and their optimization for quantum platforms. This project has the potential to significantly contribute to materials science, opening new avenues for the simulation and understanding of the electronic properties of materials, with major implications for the development of new materials and technological devices. This topic combines theoretical and practical aspects, offering a unique opportunity to work at the interface of quantum physics, materials science, and quantum computing.

Contexte de travail

The PhD will take place at LOMA, within the Condensed Matter Theory team, in collaboration with ICGM in Montpellier and LCQS in Strasbourg.

Le poste se situe dans un secteur relevant de la protection du potentiel scientifique et technique (PPST), et nécessite donc, conformément à la réglementation, que votre arrivée soit autorisée par l'autorité compétente du MESR.