Quantum information science and technology is expected to revolutionize the world. It exploits the unique quantum mechanical properties of a system, such as superposition and entanglement, to develop highly efficient methods of computation, secure communications or encryption, and sensing. There is a growing interest in quantum technology to overcome the classical limitations of current technology. The main theme of this project is to perform an in-silico design and understand the physical and spin properties of a molecular system in order to explore properties favorable to quantum technology.

Molecular systems offer structural modularity with the possibility of fine tuning at the atomic level. Since a molecular quantum system involves a large number of parameters (multidimensional landscape), the project will use data science and machine learning for this complex optimization problem. NYUAD has very advanced resources to perform these calculations. In addition, the Center for Quantum and Topological Systems at NYU Abu Dhabi is equipped with a 2-qubit NMR-based quantum computer (Gemini). The Gemini system is an excellent tool for understanding the fundamentals of quantum computing and basic research.

A specific objective is to realize the hyperpolarization of electron spins in a chromophore-radical adduction system with long lifetime and long decoherence time obtained by optical pumping. Pulsed electron paramagnetic resonance (EPR) spectroscopy will be used to characterize its dynamic electron spin polarization. The subsequent transfer of electron spin polarization to nuclear will also be studied.

Available Projects:
1. Quantum Sensing using Hyperpolarized Electron and Nuclear Spins
2. Quantum Gate Design and Optimization in Molecular Spin Qubit Systems
3. Machine Learning Approaches for Quantum Exploration in Molecular Spin Qubit Systems
4. Quantum Computing Fundamentals Using NMR