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MRI: Acquistion of a Computational Cluster for Research and Training at the University of South Florida in Partnership with Eckerd College and the University of Tampa

MRI：南佛罗里达大学与埃克德学院和坦帕大学合作收购用于研究和培训的计算集群

基本信息

批准号：
0722887
负责人：
Venkat Bhethanabotla
金额：
$ 50万
依托单位：
University of South Florida
依托单位国家：
美国
项目类别：
Standard Grant
财政年份：
2007
资助国家：
美国
起止时间：
2007-08-15 至 2010-07-31
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=0722887&HistoricalAwards=false
关键词：
MRI Acquistion Computational Cluster Research

项目摘要

The Chemistry Department at the University of South Florida will acquire a 488-processor (122-node) computational cluster with this award from the Major Research Instrumentation (MRI) program. The cluster will advance theoretical research in a number of different areas and focus on molecular simulations, condensed phase electronic structure, interfacial and bulk spectroscopy simulations and transport methods development and applications. The applications include modeling materials, longtime dynamics, nonlinear spectroscopy, drug design, ab-initio molecular dynamics techniques and multi-scale modeling of sensor response.A research grade computer cluster allows a high performance computer network to be shared by a group of theoretical and experimental scientists and engineers to perform simulations, modeling and exploration of properties and structures of material as well as prediction of results and properties. This cluster will be used in teaching and research by undergraduates and graduate students resulting in well trained students in model computational techniques. The cluster will be used by students and researchers in chemistry, chemical engineering, physics and research computing, and in partnership with two local undergraduate institutions that stress undergraduate research (the University of Tampa and Eckerd College).

南佛罗里达大学的化学系将获得一个488处理器（122节点）的计算集群，该奖项来自主要研究仪器（MRI）计划。该集群将推进一些不同领域的理论研究，重点是分子模拟，凝聚相电子结构，界面和体光谱模拟以及运输方法的开发和应用。这些应用包括材料建模、长时间动力学、非线性光谱学、药物设计、从头算分子动力学技术和传感器响应的多尺度建模。研究级计算机集群允许一组理论和实验科学家和工程师共享高性能计算机网络来执行模拟，材料的性质和结构的建模和探索以及结果和性质的预测。该集群将用于本科生和研究生的教学和研究，培养训练有素的学生模型计算技术。化学、化学工程、物理学和研究计算领域的学生和研究人员将使用该集群，并将与当地两所强调本科研究的本科院校（坦帕大学和Eckerd学院）合作使用。