Atmospheric and environmental physics processes simulation on quantum computers

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Αρμάος, Βασίλειος

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This dissertation explores the potential of quantum computing to revolutionize atmospheric physics simula- tions, leveraging the VQE algorithm. The work addresses the pressing computational challenges in atmospheric physics, characterized by complex, non-linear systems like the Lorenz system, which are computationally in- tensive and demand high-resolution data for accurate modeling. Classical computational methods, while vital, often fall short in handling the complexity and scale of atmospheric models, leading to approximations that can compromise the accuracy and fidelity of simulations. This work consists of methodological advancements in quantum computational chemistry, laying a robust foundation for extending these techniques to more complex systems such as atmospheric physics. It starts by exploring quantum computational chemistry using the UCC method on a quantum computer simulator. It sets the stage by highlighting the limitations of current quantum computational techniques. This foundation paves the way for introducing the ADAPT-VQE. This refined approach iteratively constructs quantum circuits, optimizing efficiency by selectively adding excitations based on the simulation’s evolving needs. Further innovation is presented through the QEB-ADAPT-VQE, which optimizes the quantum subroutine of VQE, making it more circuit-efficient and rapidly converging, thereby enhancing the scalability and practicality of VQE. Complementing the quantum advancements, the Parabolic Optimizer is introduced to refine the classical component of VQE, significantly improving its efficiency and complexity. These advancements culminate in applying VQE to the Lorenz system, a paradigmatic model in Atmospheric Physics. By addressing the non-Hermitian nature of the system’s Jacobian matrix and effectively computing its eigenvalues, this work not only showcases the applicability of VQE to complex, chaotic systems but also broadens the scope of quantum computing to include new fields of science and engineering. This dissertation not only pushes the boundaries of VQE but also sets a pioneering, we consider, path for applying quantum computing in Atmospheric Physics, offering a new perspective on tackling atmospheric sys- tems’ inherent complexity and unpredictability. Integrating quantum computational techniques with traditional atmospheric physics models opens up new avenues for research, promising more accurate predictions and deeper insights into climate behavior and environmental dynamics.



Atmospheric physics, Lorenz systems, Quantum computing, Quantum computational chemistry, Variational quantum eigensolver (VQE)