Simulating Electron - Phonon Processes with Photonics

用光子学模拟电子-声子过程

• 批准号: 2890220
• 金额: --
• 依托单位: University of Oxford
• 依托单位国家: 英国
• 项目类别: Studentship
• 财政年份: 2023
• 资助国家: 英国
• 起止时间: 2023 至 无数据
• 项目状态: 未结题
• 来源: https://gtr.ukri.org/projects?ref=studentship-2890220
• 关键词: Simulating; Electron; Phonon; Processes; Photonics

Quantum computing promises to revolutionise the field of computational chemistry by providing computers which scale exponentially in size along with the systems they aim to model. However, whilst many promising algorithms for performing computational chemistry calculations on quantum computers have been proposed most of these require qubit and gate counts far beyond what is currently available experimentally. Additionally, whilst many different architectures for implementing quantum technologies exist, photonics, the process of manipulating individual photons, has established itself as one of the leading architectures for providing near term quantum advantage. Techniques such as boson and gaussian boson sampling offer clear routes to quantum advantage with relatively low experimental overheads. With this project we hope to build algorithms which can utilise the relative experimental simplicity of photonics in order to provide near term quantum advantage for computational chemistry. The objective of the project is to propose algorithms useful for computational chemistry which can be implemented on near term quantum photonic devices. In this project we look to build on previous work which has shown the applicability of techniques such as gaussian boson sampling to quantum chemistry to propose algorithms which find more general applicability for quantum chemistry, particularly those in electronic structure theory and electron-boson structure theory. Electron - phonon interactions are posited to be responsible for a wide range of phenomena however simulating and predicting them from ab-initio methods remains challenging. We hope to propose ways in which low experimental cost techniques can be used to simulate these systems and thus offer new insights into their working. We aim to exploit techniques native to quantum photonics to propose analog style quantum devices which can be used to simulate quantum chemistry without the need to large qubit / gate counts. Previous work has shown that gaussian boson sampling can be used to simulate the vibrational spectra of molecules whereas here we look to see whether boson sampling (and other related techniques) can be applied to more broader problems in computational chemistry. Photonics offers a fantastic "toolbox" of techniques which we hope to find ways to apply to computational chemistry in the hopes of providing algorithms with near term implementations. Throughout this project we hope to collaborate with photonic hardware groups and companies to implement our proposed algorithms. We are currently involved with a collaboration with Duality Quantum Photonics to implement a novel algorithm for solving problems in electronic structure theory with linear optics and hope to continue the collaboration throughout the project. This project falls within the EPSRC quantum technologies research area.

量子计算有望通过提供尺寸呈指数级扩展的计算机以及它们想要建模的系统来彻底改变计算化学领域。然而，虽然已经提出了许多在量子计算机上执行计算化学计算的有前途的算法，但其中大多数需要的量子位和门数远远超出了当前实验可用的数量。此外，虽然存在许多用于实现量子技术的不同架构，但光子学（操纵单个光子的过程）已成为提供近期量子优势的领先架构之一。玻色子和高斯玻色子采样等技术以相对较低的实验费用提供了获得量子优势的清晰途径。通过这个项目，我们希望构建能够利用光子学相对实验简单性的算法，以便为计算化学提供近期量子优势。该项目的目标是提出可用于计算化学的算法，该算法可以在近期量子光子器件上实现。在这个项目中，我们希望以先前的工作为基础，这些工作显示了高斯玻色子采样等技术在量子化学中的适用性，提出了对量子化学具有更普遍适用性的算法，特别是在电子结构理论和电子-玻色子结构理论中。电子-声子相互作用被认为是造成多种现象的原因，但是从头开始的方法模拟和预测它们仍然具有挑战性。我们希望提出使用低实验成本技术来模拟这些系统的方法，从而为它们的工作提供新的见解。我们的目标是利用量子光子学的原生技术来提出模拟式量子器件，该器件可用于模拟量子化学，而不需要大量的量子位/门数。先前的工作表明，高斯玻色子采样可用于模拟分子的振动光谱，而在这里，我们着眼于玻色子采样（和其他相关技术）是否可以应用于计算化学中更广泛的问题。光子学提供了一个奇妙的技术“工具箱”，我们希望找到将其应用于计算化学的方法，以期提供具有近期实现的算法。在整个项目中，我们希望与光子硬件团体和公司合作来实现我们提出的算法。我们目前正在与 Duality Quantum Photonics 合作，实施一种新颖的算法，用线性光学解决电子结构理论中的问题，并希望在整个项目中继续合作。该项目属于 EPSRC 量子技术研究领域。