RUI: Quantum Information of Interference Features in Transport

Erwin Schrödinger stated that quantum entanglement is "the characteristic trait of quantum mechanics, the one that enforces its entire departure from classical lines of thought." Quantum entanglement, which requires coherence between quantum states, is fundamental to quantum information science (QIS) and quantum thermodynamics. These fields leverage unique quantum properties to sense, encode, manipulate, and transmit information in ways classical systems cannot. Although QIS has made significant progress with operational quantum computers and sensors, it still faces major challenges, including refining algorithms, improving error-correction techniques, and enhancing system stability and scalability. This award supports research and educational efforts to develop an alternative nonequilibrium transport formulation to address these critical challenges, focusing on controlling decoherence and realizing scalable quantum machines through chemical design. By studying the relationship between quantum coherence, entanglement, and information from the perspective of transport and nanostructure symmetry, this research hopes to significantly advance the QIS field, potentially leading to breakthroughs in information processing and transmission, benefiting society and enhancing national technological capabilities. Undergraduate students at Illinois State University (ISU) will be directly involved in all aspects of the research, gaining hands-on experience in modern theoretical and computational approaches. This project will contribute to the preparation of the next generation of scientists, ensuring continued progress and national competitiveness in QIS. At its core, quantum information science (QIS) seeks to harness the unique properties of quantum mechanics, particularly coherence and entanglement, to develop novel methods for encoding, manipulating, and transmitting information. Despite significant progress, QIS remains in its early stages and faces many technical and practical challenges. In quantum mechanics, different observables often highlight various aspects of the same problem. Typically, QIS concepts are often understood in terms of wavefunctions. This project proposes an alternative approach using nonequilibrium quantum transport theory to advance our understanding of quantum interference and entanglement as QIS resources, focusing on controlling decoherence and realizing scalable quantum machines through chemical structure. The proposed research will address the following problems: (1) Determining the information content of quantum interference features in transport, including the influence of dephasing and the ability to scale and manipulate information using molecular structure; and (2) Developing and simulating experimentally viable systems to measure the information content, such as through apparent 2nd law violations and the onset of Fourier’s Law. To address these challenges, state-of-the-art theoretical and computational tools will be developed, combining non-equilibrium Green's functions with statistical mechanics and many-body electronic structure theories. This research is expected to provide new insights into the fundamental aspects of interacting nonequilibrium quantum systems and quantum information, establishing alternative strategies to address longstanding challenges in QIS. This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.