Centers for Chemical Innovation, Phase I: Quantum Information and Computation for Chemistry

化学创新中心第一阶段：化学量子信息和计算

• 批准号: 1037992
• 负责人: Sabre Kais
• 金额: $ 150万
• 依托单位: Purdue University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2010
• 资助国家: 美国
• 起止时间: 2010-10-01 至 2014-09-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1037992&HistoricalAwards=false
• 关键词: Centers; Chemical; Innovation; Phase; Quantum

The goal of this Phase I CCI is to advance the understanding of chemical processes using theoretical concepts and frameworks from quantum information. The goal will be enabled by creating a set of tools for mapping quantum chemistry calculations onto quantum algorithms and calculations suitable for current and near-term quantum information processors, but extendable to future devices. Specifically, the CCI will undertake research on new methods to suppress errors due to faulty controls and noisy environments to overcome challenges of experimental quantum simulation; and to create a toolbox of decoupling pulses and optimized error correction for integration with quantum algorithms for chemical systems. These quantum information techniques will be used to gain novel viewpoints on diverse chemical processes from photosynthesis to bond breaking. The Center will bring together experts in theoretical chemistry and quantum information processing to work in close collaboration to develop quantum algorithms and research structure that can respond to experimental realization of quantum computers and the quantum information revolution. Even if quantum computers are never built, successful outcomes of this CCI will advance the understanding of the use of classical computers for quantum chemistry, and will help in understanding chemical phenomena in the light of quantum information theory.The Center for Quantum Information and Computation for Chemistry will also have broad impact on the scientific community and the general public through its dissemination and outreach activities. Software tools will be made available to the scientific community. The outreach plan includes public lectures and new courses, synergistic to the Center's activities, for K-12 education and distance learning. Special efforts will be undertaken by the Center's senior investigators to attract under-represented groups to the center's opportunities. The Centers for Chemical Innovation (CCI) Program supports research centers that can address major, long-term fundamental chemical research challenges that have a high probability of both producing transformative research and leading to innovation. These Centers will attract broad scientific and public interest by sharing the results of their innovative approach to this challenging question.

第一阶段CCI的目标是使用量子信息的理论概念和框架来促进对化学过程的理解。 这一目标将通过创建一套工具来实现，这些工具将量子化学计算映射到适合当前和近期量子信息处理器的量子算法和计算上，但可扩展到未来的设备。 具体而言，CCI将研究新方法，以抑制由于错误控制和噪声环境而导致的错误，以克服实验量子模拟的挑战;并创建解耦脉冲和优化纠错工具箱，用于与化学系统的量子算法集成。 这些量子信息技术将用于获得从光合作用到键断裂的各种化学过程的新观点。 该中心将汇集理论化学和量子信息处理方面的专家，密切合作开发量子算法和研究结构，以应对量子计算机和量子信息革命的实验实现。即使量子计算机永远不会建成，CCI的成功成果也将促进人们对经典计算机在量子化学中的应用的理解，并将有助于根据量子信息理论理解化学现象。化学量子信息与计算中心还将通过其传播和推广活动对科学界和公众产生广泛影响。 将向科学界提供软件工具。 外联计划包括公共讲座和新课程，协同中心的活动，为K-12教育和远程学习。 中心的高级调查员将作出特别努力，吸引代表性不足的群体利用中心的机会。 化学创新中心（CCI）计划支持研究中心，可以解决重大的，长期的基础化学研究挑战，有很高的可能性都产生变革性的研究和创新。这些中心将通过分享他们对这一挑战性问题的创新方法的结果，吸引广泛的科学和公众兴趣。