Elements: Community portal for high-precision atomic physics data and computation

Elements：高精度原子物理数据和计算的社区门户

• 批准号: 1931339
• 负责人: Marianna Safronova
• 金额: $ 56万
• 依托单位: University of Delaware
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2019
• 资助国家: 美国
• 起止时间: 2019-10-01 至 2023-09-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1931339&HistoricalAwards=false
• 关键词: Elements; Community; portal; precision; atomic

Many engineering products and science projects depend on knowledge of exact characteristics of the atoms that make up the used materials. Today's Global Positioning Systems (GPS) are an example of such engineering products. This project will develop an easy-to-use web portal that provides the atomic physics and other communities with much-needed precision information about atomic properties. Research in quantum information, degenerate quantum gases, atomic clocks, precision measurements of atoms and molecules, plasma physics, astrophysics, and studies of fundamental physics all rely on precise knowledge of atomic properties. Experimental measurements are impossible or infeasible in many cases. Releasing all codes to the public and creating a portal with easy access to high-precision computations, now limited to only group of experts, will enable and accelerate a broad range of physics research and engineering projects.The portal is powered by a database of high-precision information, including matrix elements and polarizabilities of frequently used atoms. The database is coupled with a package of computational applications capable of computing on-demand a wider range of properties and for atoms not yet in the database. The code package has already demonstrated these capabilities, but will be developed into community codes that run efficiently on available high-performance computing systems. For atoms with many valence electrons, computing precise properties is not yet feasible, as the computational complexity is exponential. This project will develop new methods and algorithms for computing these properties, enabling precision atomic research to be done with atoms not possible thus far. Finally, the development of the portal and parallel applications addresses important computer science challenges, such as the efficient coupling of databases with complex computations that automatically ingest new data. Thus, this project will also create new knowledge in the key issue of combining data and simulation.This project is supported by the Office of Advanced Cyberinfrastructure in the Directorate for Computer & Information Science & Engineering and the Division of Physics and the Division of Chemistry in the Directorate of Mathematical and Physical Sciences.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

许多工程产品和科学项目都依赖于对组成所用材料的原子的确切特性的了解。今天的全球定位系统（GPS）就是这种工程产品的一个例子。该项目将开发一个易于使用的门户网站，为原子物理学和其他社区提供急需的有关原子性质的精确信息。量子信息、简并量子气体、原子钟、原子和分子的精确测量、等离子体物理学、天体物理学以及基础物理学的研究都依赖于原子性质的精确知识。在许多情况下，实验测量是不可能或不可行的。向公众发布所有代码，并创建一个门户网站，方便访问高精度计算，现在仅限于专家组，将启用和加速广泛的物理研究和工程项目。该门户网站由高精度信息数据库提供支持，包括常用原子的矩阵元素和极化率。该数据库与一组计算应用程序相结合，能够按需计算更广泛的属性以及尚未在数据库中的原子。代码包已经展示了这些功能，但将开发成在可用的高性能计算系统上有效运行的社区代码。对于具有许多价电子的原子，计算精确的性质尚不可行，因为计算复杂度是指数级的。该项目将开发计算这些属性的新方法和算法，使迄今为止不可能用原子进行精确的原子研究。最后，门户和并行应用程序的开发解决了重要的计算机科学挑战，例如数据库与自动摄取新数据的复杂计算的有效耦合。因此，该项目也将在数据和模拟相结合的关键问题上创造新的知识。该项目得到了计算机信息科学工程局高级网络基础设施办公室&&和数学和物理科学局物理学和化学部的支持。该奖项反映了NSF的法定使命，并通过使用基金会的评估被认为值得支持。知识价值和更广泛的影响审查标准。