Elements: Scalable and Automated Atomic Portal - Bridging the Gap Between Research Codes and User Community

在目前的许多应用中，从基本相互作用的研究到未来技术的发展，精确的原子理论对于实验的设计和解释是必不可少的，而直接对相关参数进行实验测量是不可能或不可行的。更广泛的原子、等离子体、天体物理学和核物理学社区也对这些数据有很高的需求。近年来，随着基于原子的量子技术在广泛的基础和实际应用中的发展，对高精度原子建模的需求显着增加。从我们小组开发的原型代码开始，我们将开发具有用户友好界面的开放访问原子软件，能够计算各种原子和离子的大量高质量原子数据。我们将开发一个可扩展的自动化数据门户网站，该网站具有方便的界面，可以方便地添加新内容的数据，并更新门户网站已提供的数据。除了直接的研究和网络基础设施的目标，该项目将影响学生的学习，原子物理学家的更广泛的知识基础，更大的科学界的生产力，以及私营部门在原子物理工程的竞争力。该项目旨在弥合原子物理研究代码的开发和用户社区对数据和软件的需求之间的差距。在涉及复杂原子的应用中，进一步的快速发展将需要对基本原子性质的准确了解，其中大部分仍然高度不确定，难以通过实验测量。此外，缺乏可靠的理论框架阻碍了对丰富、复杂的原子结构的进一步应用的探索。该项目为多个科学界提供高质量的原子数据和软件。为了满足社会的需要，我们将（1）开发一个可扩展和可持续的在线数据门户网站，并提供自动化界面，以便轻松更新和添加新数据，（2）继续开发基于我们的研究代码的开放访问原子软件，以便生成大量数据并进行自动准确性评估。该门户网站将提供能量，波长，过渡矩阵元素，以及各种过渡类型的速率，分支比，寿命，极化率，超精细常数和其他数据。我们计划在项目结束时为用户社区提供100多个原子和离子的数据，包括高电荷离子。门户的显著扩展将需要原子代码和门户自动化的新水平。新的界面将允许轻松添加新元素的数据，并更新PI物理团队和合作者已经通过门户网站提供的数据，以确保门户网站在资助期后可持续发展。高级网络基础设施办公室的这一奖项由数学和物理科学局物理学部信息前沿物理学联合支持。该奖项反映了NSF的法定使命，并已被认为是值得通过使用基金会的智力价值和更广泛的影响审查标准进行评估的支持。

In a number of present applications, ranging from studies of fundamental interactions to the development of future technologies, accurate atomic theory is indispensable to the design and interpretation of experiments, with direct experimental measurement of relevant parameters being impossible or infeasible. These data are also in high demand by broader atomic, plasma, astrophysics, and nuclear physics communities. The need for high-precision atomic modeling has increased significantly in recent years with the development of atomic-base quantum technologies for a wide range of fundamental and practical applications. Starting from the prototype codes developed by our group, we will develop open-access atomic software with a user-friendly interface capable of calculating a large volume of high-quality atomic data for various atoms and ions. We will develop a scalable and automated data portal with a convenient interface that will allow for easy addition of data for new elements and updates of data already provided by the portal. Beyond the immediate research and cyberinfrastructure aims of the proposed effort, this project will impact student learning, the broader knowledge base of atomic physicists, the productivity of the larger science community, and the competitiveness of the private sector in atomic physics engineering.This project aims to bridge the gap between the development of atomic physics research codes and the need for data and software by the user community. Further rapid advances in applications involving complex atoms will require accurate knowledge of basic atomic properties, most of which remain highly uncertain and difficult to measure experimentally. Moreover, the lack of a reliable theoretical framework hinders the search for further applications of rich, complex atomic structures. This project provides high-quality atomic data and software in several scientific communities. To meet the needs of the community, we will (1) develop a scalable and sustainable online data portal with an automated interface for easy update and addition of new data, (2) continue the development of open-access atomic software based on our research codes that allow generating large volumes of data with automated accuracy assessments. The portal will provide energies, wavelengths, transition matrix elements, and rates for various transition types, branching ratios, lifetimes, polarizabilities, hyperfine constants, and other data. We plan to make data for over 100 atoms and ions, including high-charged ions, available for the user community by the end of this project. Significant scaling of the portal will require a new level of both atomic code and portal automatization. The new interface will allow easy addition of data for new elements and updates of data already provided by the portal by the physics team of the PI and collaborators to ensure that the portal is sustainable beyond the funding period.This award by the Office of Advanced Cyberinfrastructure is jointly supported by the Physics at the Information Frontier in the Division of Physics within the Directorate for 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.