MRI: Acquisition of Large Shared-Memory Computing for the Center for Computational Sciences at Duquesne University
MRI:为杜肯大学计算科学中心采购大型共享内存计算
基本信息
- 批准号:0723109
- 负责人:
- 金额:$ 37.41万
- 依托单位:
- 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:
- 关键词:
项目摘要
Duquesne University's Bayer School of Natural and Environmental Sciences, the McAnulty College and Graduate School of Liberal Arts, and the Mylan School of Pharmacy will upgrade its computer facility for research, research training and integration of research/education activities at its Center for Computational Sciences (CCS) with this award of two 32-core large, shared-memory computers from the Major Research Instrumentation (MRI) program. This computational facility will be used to investigate problems in a number of areas, for example: 1) Surface Chemistry: Creation and Study of Biofilm Structure, Activity and Anti-infection Properties; 2) New Materials: Synthesis and Study of Diamond-Like Semiconductors with Novel Magnetic Properties; 3) Synthetic Organic Chemistry: Stereoselective Alkylations of Nitrile Anions and Impact of Solvent; 4) Inorganic Chemistry: Role of Counterion and Monomer Coordination in Copper(I) Catalyzed Cyclopropanation Reactions.The high performance research grade computer will be shared by theoretical and experimental scientists to perform simulations, modeling of properties and structures of molecules, and understand mechanisms of chemical, biochemical and physical changes. Students will use advanced computing in investigating broad scientific themes, such as nanotechnology, homeland security, advanced instrumentation, pharmaceutical drug design, forensic sciences and chemical biology. The plan is to expand meaningful research opportunities, through support of state-of-the-art computer facilities, to faculty members and undergraduate students at LSAMP and PUI schools. The computational resource will also be used in teaching and classroom instruction.
杜奎恩大学拜耳自然与环境科学学院、麦卡努尔学院和文科研究生院以及迈伦药学院将升级其计算科学中心(CCS)的计算机设施,用于研究、研究培训和研究/教育活动的整合,主要研究仪器(MRI)计划授予两台32核大型共享内存计算机。这一计算设施将用于研究多个领域的问题,例如:1)表面化学:生物膜结构、活性和抗感染性能的创建和研究;2)新材料:具有新型磁性的类金刚石半导体的合成和研究;3)合成有机化学:丁腈阴离子的立体选择性烷基化和溶剂的影响;4)无机化学:对偶离子和单体配位在铜(I)催化的环丙烷化反应中的作用。高性能的研究级计算机将由理论和实验科学家共享,以进行模拟、分子的性质和结构建模,并了解化学、生物化学和物理变化的机制。学生将使用先进计算来研究广泛的科学主题,如纳米技术、国土安全、先进仪器、药物设计、法医学和化学生物学。该计划旨在通过支持最先进的计算机设施,为LSAMP和PUI学校的教职员工和本科生扩大有意义的研究机会。计算资源还将用于教学和课堂教学。
项目成果
期刊论文数量(0)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
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Jeffrey Evanseck其他文献
Jeffrey Evanseck的其他文献
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{{ truncateString('Jeffrey Evanseck', 18)}}的其他基金
REU Site: Integration of Chemical Theory, Computation and Experiment at Duquesne University
REU 网站:杜肯大学化学理论、计算和实验的整合
- 批准号:
2244151 - 财政年份:2023
- 资助金额:
$ 37.41万 - 项目类别:
Standard Grant
REU Site: Integration of Chemical Theory, Computation and Experiment at Duquesne University
REU 网站:杜肯大学化学理论、计算和实验的整合
- 批准号:
1950585 - 财政年份:2020
- 资助金额:
$ 37.41万 - 项目类别:
Standard Grant
REU Site: Discovery by Computation, Theory and Experiment
REU 站点:通过计算、理论和实验发现
- 批准号:
1659823 - 财政年份:2017
- 资助金额:
$ 37.41万 - 项目类别:
Standard Grant
MRI: SusChEM: Acquisition of a hybrid distributed computer system to enhance integration of chemical theory, computation, and experimental research at Duquesne University
MRI:SusChEM:购买混合分布式计算机系统,以增强杜肯大学化学理论、计算和实验研究的集成
- 批准号:
1726824 - 财政年份:2017
- 资助金额:
$ 37.41万 - 项目类别:
Standard Grant
Integrated Computational and Experimental REU Site
综合计算和实验 REU 站点
- 批准号:
1263279 - 财政年份:2013
- 资助金额:
$ 37.41万 - 项目类别:
Standard Grant
Scholarships for Academically Talented and Financially Disadvantaged Undergraduate and Graduate Students
为学术优秀且经济困难的本科生和研究生提供奖学金
- 批准号:
1259941 - 财政年份:2013
- 资助金额:
$ 37.41万 - 项目类别:
Standard Grant
MRI: Acquisition of Large Shared Memory Supercomputer at Duquesne University
MRI:杜肯大学购买大型共享内存超级计算机
- 批准号:
1126465 - 财政年份:2011
- 资助金额:
$ 37.41万 - 项目类别:
Standard Grant
Integrated Computational and Experimental REU/DoD Site
综合计算和实验 REU/DoD 站点
- 批准号:
1005145 - 财政年份:2010
- 资助金额:
$ 37.41万 - 项目类别:
Continuing Grant
Research Experiences for Undergraduates: Integrated Computational and Experimental REU Site at Duquesne University
本科生研究经验:杜肯大学综合计算和实验 REU 站点
- 批准号:
0649182 - 财政年份:2007
- 资助金额:
$ 37.41万 - 项目类别:
Continuing Grant
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