MRI: Acquisition of Pinnacles -- Raising Research Computing to New Heights in California's Central Valley

MRI：收购 Pinnacles——将加州中央山谷的研究计算提升到新高度

基本信息

批准号：
2019144
负责人：
Hrant Hratchian
金额：
$ 70万
依托单位：
University of California - Merced
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：
2020-08-01 至 2023-07-31
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=2019144&HistoricalAwards=false
关键词：
MRI Acquisition Pinnacles Raising Research

项目摘要

Scientific computing plays a central role in knowledge discovery and scientific advancement. This award will result in the acquisition of a shared high-performance computing (HPC) cluster named Pinnacles at the University of California, Merced (UCM). Building on an increasing strength in scientific computing at UCM, the nation’s first new research-intensive university of the 21st century, this project will deploy a new state-of-the-art HPC to enable exciting cutting-edge science and facilitate advanced research training that will promote the progress of science. UCM, an Hispanic Serving Institution, is also uniquely positioned to leverage the new HPC to provide access and training opportunities for students from underrepresented groups.Pinnacles will serve as a centerpiece for high-impact work in three scientific research pillars: (1) modeling and simulation of complex systems; (2) data enabled science; and (3) numerical optimization. This shared HPC cluster will be used by researchers to advance a broad array of conventional disciplines. Indeed, senior personnel involved in the project span all three of UCM’s academic schools, with work ranging from quantum chemistry to cognitive science. With a central focus on HPC and serving as a collaboration incubator, the Pinnacles cluster will facilitate knowledge discovery by supporting researchers working in their individual research areas and enhancing interdisciplinary collaborations to strengthen advancements at the boundaries of traditional disciplines. In addition to exciting broad scientific opportunities, Pinnacles will support early career researchers and advance learning and research experience opportunities for a diverse and underserved student population.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.

科学计算在知识发现和科学进步中发挥着核心作用，该奖项将导致加州大学默塞德分校 (UCM) 收购一个名为 Pinnacles 的共享高性能计算 (HPC) 集群，以增强其在科学计算方面的实力。 UCM 是美国 21 世纪第一所新型研究密集型大学，该项目将部署全新的最先进的 HPC，以实现令人兴奋的前沿科学并促进高级研究培训，从而促进科学计算的进步科学。 UCM 作为西班牙裔服务机构，也具有独特的优势，可以利用新的 HPC 为代表性不足群体的学生提供入学和培训机会。Pinnacles 将作为三个科学研究支柱的高影响力工作的核心：(1) 建模和复杂系统的模拟；(2) 数据支持的科学；以及(3) 研究人员将使用这个共享的 HPC 集群来推进广泛的学科传统。 Pinnacles 集群的工作范围从量子化学到认知科学，以 HPC 为中心，并作为合作孵化器，将通过支持研究人员在各自的研究领域工作并加强跨学科合作来促进知识发现，以加强各领域的进步。除了令人兴奋的广泛科学机会外，Pinnacles 还将支持早期职业研究人员，并为多元化和服务不足的学生群体提供学习和研究经验的机会。该奖项反映了 NSF 的法定使命，并通过评估被认为值得支持。使用基金会的智力价值和更广泛的影响审查标准。

项目成果

期刊论文数量（3）

专著数量（0）

科研奖励数量（0）

会议论文数量（0）

专利数量（0）

Assessing the performance of ΔSCF and the diagonal second-order self-energy approximation for calculating vertical core excitation energies

评估 ΔSCF 和对角二阶自能近似计算垂直核心激发能的性能

DOI：
10.1063/5.0100638
发表时间：
2022-08
期刊：
The Journal of Chemical Physics
影响因子：
0
作者：
Zamani, Abdulrahman Y.;Hratchian, Hrant P.
通讯作者：
Hratchian, Hrant P.

Enhanced Reactivity for Aromatic Bromination via Halogen Bonding with Lactic Acid Derivatives

通过与乳酸衍生物的卤素键合增强芳香族溴化的反应活性

DOI：
10.1021/acs.joc.2c00611
发表时间：
2022-06
期刊：
The Journal of Organic Chemistry
影响因子：
0
作者：
Baker, Sarah I.;Yaghoubi, Mahshid;Bidwell, Samantha L.;Pierce, Savannah L.;Hratchian, Hrant P.;Baxter, Ryan D.
通讯作者：
Baxter, Ryan D.

Versatile New Reagent for Nitrosation under Mild Conditions

温和条件下亚硝化的多功能新型试剂

DOI：
10.1021/acs.orglett.1c00637
发表时间：
2021-05
期刊：
Organic Letters
影响因子：
5.2
作者：
Galloway, Jordan D.;Sarabia, Cristian;Fettinger, James C.;Hratchian, Hrant P.;Baxter, Ryan D.
通讯作者：
Baxter, Ryan D.