Quantum Light Generation and Quantum Sensing with Metal-Organic Frameworks: Theory and Molecular Modeling
Abstract
Quantum entanglement depends on the details of the entangled particle source. Photonic entanglement, for example, depends on the type of material used to convert classical light to quantum light via nonlinear optical processes. The biggest challenge for scalability and innovation in the future of quantum technologies lies in finding those materials that possess the desired quantum capabilities and enable new protocols for quantum communication, quantum sensing, and quantum information processing. The current material bankfor photonic entanglement is small, offering limited operating windows and stability. Metal-organic frameworks (MOFs), a hybrid inorganic-organic class of porous materials, have shown promise for entangled photon generation. The overall goal of this proposal is to design and discover MOFs for integrated quantum light sources and quantum sensing of trace gases. Crystal generation algorithms will be used to generate birefringent MOFs and expand the material space capable of producing entangled photons. The nonlinear optics properties of the materials will be calculated using quantum chemistry. Gas adsorption and configurations inside of pores of MOFs will be found using molecular modeling techniques like molecular dynamics and grand canonical Monte Carlo (GCMC). Machine learning techniques will be used to intelligently select the simulations to be performed across the material space while simultaneously developing an accurate surrogate model capable of describing the material space. The proposal will produce a computational methodology that finds MOF materials for the efficient generation of quantum light, enabling fundamental studies of entanglement and novel applications in photonic quantum technology. It will also produce structure-property relationships relating MOF structure and/or gas identity and loading to the entangled photon properties. This will result in novel quantum sensing platforms and targeted entangled photon properties by choosingMOF and/or identity and loading of gas inside of it. The outcomes of this proposal will impact photonic quantum technologies and their applications in quantum communications, quantum sensing, and quantum information processing.APPROVED FOR PUBLIC RELEASE
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Mar 12, 2025
- Source ID
- N000142512214
Entities
People
- Yamil Colon
Organizations
- Office of Naval Research
- United States Navy
- University of Notre Dame