Eigensolvers: from high performance computing to quantum computation

特征求解器：从高性能计算到量子计算

• 批准号: 520223-2017
• 负责人: Roy, PierreNicholas
• 金额: $ 1.82万
• 依托单位: University of Waterloo
• 依托单位国家: 加拿大
• 项目类别: Engage Grants Program
• 财政年份: 2017
• 资助国家: 加拿大
• 起止时间: 2017-01-01 至 2018-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=640154
• 关键词: Eigensolvers; performance; computing; quantum; computation

OTI Lumionics is interested in developing materials suitable for producing more energy efficient organic lightemitting diodes (OLEDs). Quantum chemistry simulations are at the heart of this search for better organiccompounds. The research project focuses on the develop of efficient linear algebra algorithms to solveproblems related to quantum chemistry. Both traditional high performance computing techniques and emergingquantum computing technologies will be explored. These results will promise accurate and rapid searches oforganic compounds suitable for OLEDs. The OTI Lumionics team will provide the matrix elements and Hilbertspace structure of model Hamiltonians relevant to the company specific problem while the Roy group willprovide expertise in high performance computing and quantum dynamics with a special focus on linear algebra.

OTI Lumionics对开发适合生产更节能的有机发光二极管（oled）的材料感兴趣。量子化学模拟是寻找更好的有机化合物的核心。该研究项目的重点是开发有效的线性代数算法来解决与量子化学相关的问题。将探索传统的高性能计算技术和新兴的量子计算技术。这些结果将有助于准确和快速地搜索适合oled的有机化合物。OTI Lumionics团队将提供与公司具体问题相关的哈密顿模型的矩阵元素和Hilbertspace结构，而Roy团队将提供高性能计算和量子动力学方面的专业知识，并特别关注线性代数。