Quantum Theory of Matter and PHYSIX teams at IMPMC

TEAM MEMBERS IN COLLABORATION WITH MAJULAB

  • Benjamin Lenz (Associate Professor, SU)
  • Michele Casula (Research director, CNRS)
  • Marco Saitta (Professor, SU)
  • Manaswita Kar (PostDoc fellowship via ANR-NRF ‘DesperQD’, SU)

Scientific activities with MajuLab

In frame of the ANR-NRF project ‘DesperQD’, the team at IMPMC is closely collaborating with the Machine Learning team of Assoc. Prof. Kedar Hippalgaonkar at Nanyang Technological University (NTU) / A*STAR (https://dr.ntu.edu.sg/cris/rp/rp00405).

The material predictions of the team’s simulations both deliver to and profit from feedback with experiments. In this context, they also collaborate with the team of Prof. Lam Yeng Ming (https://dr.ntu.edu.sg/cris/rp/rp01069), who is pursuing the synthesis of perovskite quantum dots at NTU.

The scientific activities with NTU mainly focus on:

  • The identification of promising halide perovskite-based structures from first principles for future quantum dot applications
  • The calculation of excitonic properties of halide perovskites from many-body perturbation theory and Bethe-Salpeter equation

Why and how this collaboration?

Halide perovskite-based quantum dots are promising novel materials for future application as single photon emitters. Despite the huge variety of halide perovskites available, only a few are used in their colloidal form and the exploration of new halide perovskites is needed. The crucial link between the atomic structure and the optical properties can be established at the single quantum dot level using correlative optical and structural techniques. Since the optical properties depend on the perovskites’ excitonic properties, many-body calculations are required.

It is in this context that the IMPMC team started the collaboration with NTU in Singapore in 2021 in the frame of the bilateral ANR-NRF project “DesperQD”. In this project, the IMPMC group’s expertise in many-body ab initio calculations is met by the machine-learning based structure prediction of the Singapore theory node of the project to identify new promising material candidates that will be synthesised by the experimental node of the project.

 

Collaborative grants with MajuLab

2021 – 2025    ANR-NRF PRCI

“Desper QD: Rational design of halide perovskite-based quantum dots for photonic applications”. French PI (Carole Diederichs, SU, LPENS) – Singaporean PI (Kedar Hippalgaonkar, NTU/A*STAR).