Presentation
Molecular spectroscopy is an essential tool for analytic chemistry whereby structural information is revealed by comparing measured spectra with theoretical models. Current methods, however, face a fundamental limitation. Despite the development of sophisticated computational tools, the quantum character of molecules limits its precise modelling.
The critical bottleneck is the numerical estimation of wave function overlaps corresponding to vibrational states of molecules. During this research project we will demonstrate how to replace this costly computing step by an algorithm, recently put forward by Aspuru-Guzik’s group at Harvard, that runs as a subroutine on an integrated quantum photonic circuit.
We will then study the feasibility of scaling this method to a large-size simulator capable of surpassing conventional methods. Additionally, we will design novel efficient classical algorithms for spectral computation for high temperature leveraging concepts from quantum optics.
Promoters
- Ian Walmsley, Department of Physics, University of Oxford
- Raúl García-Patrón Sánchez, Brussels School of Engineering, ULB