Controlling spin properties of molecules with quantum fields: ab-initio methodologies for spin polaritons

Introduction

The goal of QED-Spin is to build novel ab initio techniques to reveal effects induced by quantum fields on the spin properties of molecules. Quantum computing and spectroscopic techniques are just two of the main fields that stand to benefit significantly from advancements in spin engineering; a field that is currently at the science frontier both for experiments and quantum many-body theory.

Project Objectives

In this project, I will propose new strategies based on strong light-matter coupling to manipulate static and dynamical spin properties of molecules. The mission of QED-Spin is to explore, using advanced theoretical techniques, the phenomena that arise when quantum fields interact with the electronic and nuclear spins of molecular systems and their implications in:

• Chemistry
• Spectroscopy
• Spintronics

Expected Outcomes

In particular, the proposed techniques will represent a significant step forward toward a better manipulation of molecular spin qubits used in quantum information and energy and memory storage. They will also increase our current possibilities of control on the photochemistry of molecular systems.

Innovations in Techniques

The effects induced on the nuclear spins will lead to the formulation of a novel and more selective nuclear magnetic resonance technique. The developed theoretical and computational techniques will provide, differently from the previously applied model treatments, new tools to quantitatively simulate spin properties of molecules.

Methodological Framework

The combination of cavity quantum electrodynamics and accurate quantum chemistry methodologies will form the basis for the development of novel tools to interpret and design spin properties. The following approaches will be used:

1. Coupled cluster theory
2. Configuration interaction
3. Density matrix renormalization group approaches

Conclusion

I believe that the results of QED-Spin will build the foundations for a new field of research -- cavity spintronics.