Quantum Computing for Modeling of Molecules and Materials

用于分子和材料建模的量子计算

• 批准号: CRC-2021-00257
• 负责人: Baker, Thomas
• 金额: $ 6.92万
• 依托单位: University of Victoria
• 依托单位国家: 加拿大
• 项目类别: Canada Research Chairs
• 财政年份: 2022
• 资助国家: 加拿大
• 起止时间: 2022-01-01 至 2023-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=750793
• 关键词: Quantum; Computing; Modeling; Molecules; Materials

Dr. Thomas E. Baker's research proposal for the Canada Research Chair in quantum computing for modeling of molecules and materials at the University of Victoria is a comprehensive theoretical physics program. The focus of this research program is on all aspects necessary to bring a quantum computer to a full realization and to use it in the most efficient way possible.Dr. Baker's experience spans all necessary theoretical aspects of developing a quantum computer. Dr. Baker will use a custom tensor network library for solving quantum physics problems. These problems will relate to the most fundamental design element of a quantum computer: using quantum materials to manufacture qubits. Since qubits are capable of storing a superposition of states, these are sufficient to make a quantum computer. The next element of the research proposal is to simulate networks of qubits so that large quantum computers can be made. The third aspect of Dr. Baker's research program is to design fault-tolerant quantum error-correction so that quantum computers can avoid corruption due to noise, similar to how classical computers have classical error-correction. This will bring quantum computers out of the era of noisy computation to their complete realization. Dr. Baker's final research focus is on ensuring that efficient quantum algorithms exist to compute molecules and materials.There are several novel aspects of the research program that will fundamentally change how quantum computers are designed and used. Dr. Baker will investigate improved methods of wavefunction preparation on the quantum computer using methods that can not be performed on the classical computer. Another area where this proposal will contribute is to simulation methods for qubits and the materials used to make them.The combination of these elements will make for a diverse and impactful atmosphere where ideas from one area can be used to aid other aspects of quantum computation. The interdisciplinary sharing of knowledge during this project will bring quantum computing to full fruition by including the best ideas and theories available. Algorithmic improvements on the quantum computer and improved designs for components of the quantum computer will ensure that results can be found for pressing problems including some of the anticipated outcomes from improved computing: new medicines, climate modeling, green energy, battery technologies, and more.

托马斯E.贝克的研究建议，加拿大研究主席在量子计算建模的分子和材料在维多利亚大学是一个全面的理论物理计划。该研究项目的重点是全面实现量子计算机并以最有效的方式使用它所需的所有方面。Baker博士的经验涵盖了开发量子计算机的所有必要理论方面。贝克博士将使用自定义张量网络库来解决量子物理问题。这些问题将涉及量子计算机最基本的设计元素：使用量子材料制造量子比特。由于量子比特能够存储叠加态，这些足以制造量子计算机。研究计划的下一个要素是模拟量子比特网络，以便制造大型量子计算机。贝克博士研究计划的第三个方面是设计容错量子纠错，使量子计算机可以避免由于噪声而导致的腐败，类似于经典计算机的经典纠错。这将使量子计算机摆脱噪声计算的时代，完全实现。贝克博士的最终研究重点是确保有效的量子算法存在计算分子和材料.有几个新的方面的研究计划，将从根本上改变量子计算机的设计和使用.贝克博士将研究在量子计算机上使用无法在经典计算机上执行的方法进行波函数准备的改进方法。该提案将贡献的另一个领域是量子比特的模拟方法和用于制造它们的材料。这些元素的组合将创造一个多样化和有影响力的氛围，其中一个领域的想法可以用于帮助量子计算的其他方面。在这个项目中，跨学科的知识共享将通过包括现有的最佳想法和理论来实现量子计算。量子计算机的性能改进和量子计算机组件的改进设计将确保能够为紧迫的问题找到结果，包括改进计算的一些预期结果：新药，气候建模，绿色能源，电池技术等等。