Frontera Travel Grant: Computational Studies of Transition Metal-Catalyzed Reactions

Frontera 旅行补助金：过渡金属催化反应的计算研究

• 批准号: 2031953
• 负责人: Peng Liu
• 金额: $ 1万
• 依托单位: University of Pittsburgh
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2020
• 资助国家: 美国
• 起止时间: 2020-09-01 至 2021-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2031953&HistoricalAwards=false
• 关键词: Frontera; Travel; Grant; Computational; Studies

For nearly four decades, the National Science Foundation (NSF) has played a leadership role in provisioning advanced cyberinfrastructure capabilities for the Nation's Science and Engineering (S&E) researchers. An important component in this investment is the leadership-class computing program that provides computational and data analytics capabilities at the largest scale to inspire transformative S&E discoveries that would not be possible otherwise. NSF's current leadership-class computing investment supports Frontera, the largest High-Performance Computing (HPC) system on a US academic campus. The Frontera system is deployed and operated by the Texas Advanced Computing Center (TACC) at the University of Texas (UT) at Austin. This travel grant will support the participation of researchers who have been awarded a computer time allocation on the Frontera system at a future Principal Investigator (PI) meeting organized by TACC. The award will also support travel for technical coordination between researchers and the Frontera project to ensure optimal and effective utilization of the Frontera system.The goal of the PI meeting is to allow Frontera research users, as well as their students, to share scientific results, exchange practical lessons-learned, and present their overall experience from using the Frontera system. In addition to research presentations, the meeting will have ample time, as well as facilitated sessions, to promote increased interaction between Frontera research users and project staff. The outcome of the PI meeting will not only enable the Frontera project to better understand and serve the scientific research community, but also build a community to better represent the unique needs of S&E research that require access to NSF leadership computing facilities. To facilitate deeper coordination beyond the PI meeting, this award will also provide travel support to enable technical coordination between the research user teams and the Frontera project.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.

近四十年来，美国国家科学基金会 (NSF) 在为国家科学与工程 (S&E) 研究人员提供先进的网络基础设施能力方面发挥了领导作用。这项投资的一个重要组成部分是领先级的计算计划，该计划提供最大规模的计算和数据分析能力，以激发变革性的科学与工程发现，否则这是不可能的。 NSF 目前领先级的计算投资支持 Frontera，这是美国学术园区最大的高性能计算 (HPC) 系统。 Frontera 系统由位于奥斯汀的德克萨斯大学 (UT) 的德克萨斯高级计算中心 (TACC) 部署和运营。这笔旅费补助金将支持获得 Frontera 系统计算机时间分配的研究人员参加 TACC 未来组织的首席研究员 (PI) 会议。该奖项还将支持研究人员和 Frontera 项目之间的技术协调差旅，以确保 Frontera 系统的最佳和有效利用。PI 会议的目标是让 Frontera 研究用户及其学生分享科学成果，交流实际经验教训，并展示他们使用 Frontera 系统的总体经验。除了研究报告外，会议还将有充足的时间和便利的会议，以促进 Frontera 研究用户和项目人员之间增加互动。 PI会议的成果不仅将使Frontera项目能够更好地了解和服务科学研究界，而且还将建立一个社区来更好地代表需要使用NSF领先计算设施的S&E研究的独特需求。为了促进 PI 会议之外的更深入协调，该奖项还将提供差旅支持，以实现研究用户团队和 Frontera 项目之间的技术协调。该奖项反映了 NSF 的法定使命，并通过使用基金会的智力优势进行评估，被认为值得支持以及更广泛的影响审查标准。