Super instruction architecture for petascale computing.
Super instruction architecture for petascale computing.
批准号:
0832587
负责人:
Rodney Bartlett
金额:
$4.0万
依托单位:
依托单位国家:
美国
项目类别:
Standard Grant
财政年份:
2009
资助国家:
美国
项目状态:
已结题
起止时间:
2009-04-15 至 2013-09-30
中文摘要
这一建议是为将于2011年投入使用的“蓝水”计算机系统临时分配时间,并为支持与“蓝水”项目小组的技术协调提供旅费。该项目将利用Blue Waters研究量子化学和生物化学中的一些主题,包括质子化水簇的结构和行为、氨基酸的构象能和视紫红质的光异构化。视紫红质的研究对理解视觉的化学过程具有重要意义,在分子电子学领域也有潜在的应用前景。该项目将为在一系列学科中创建领域特定语言提供一种方法,为科学研究提供一种有效地生成可扩展的并行软件的机制。
英文摘要
This proposal is for a provisional allocation of time on the Blue Waters computer system, due to become operational in 2011, and for travel funds to support technical coordination with the Blue Waters project team.The project will use Blue Waters to investigate a number of topics in quantum chemistry and biochemistry including, the structure and behavior of protonated water clusters, the conformational energy of amino acids, and the photoisomerization of rhodopsin. The work on rhodopsin is important for understanding one of the chemical processes involved in vision and will also have potential application in the field of molecular electronics.The project will provide a methodology for the creation of domain-specific languages in a range of disciplines, providing a mechanism to efficiently generate scalable, parallel software for scientific research.
期刊论文(0)
专著(0)
科研奖励(0)
会议论文
Support for a Workshop on Parallelization of Coupled Cluster Methods in Quantum Chemistry, February 23-24, 2008, St. Simons Island, Georgia
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批准号:0803118
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项目类别:Standard Grant
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资助金额:$1.2万
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财政年份:2008
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负责人:Rodney Bartlett
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依托单位:
US-France Cooperative Research: Electronic Spectroscopy and Photochemistry of Transition Metal Complexes Studied via Coupled-Cluster Calculations and Wavepacket Propagation
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批准号:0340787
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项目类别:Standard Grant
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资助金额:$2.02万
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财政年份:2004
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负责人:Rodney Bartlett
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依托单位:
ITR: Science and Software for Predictive Simulation of Chemo-Mechanical Phenomena in Real Materials
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批准号:0325553
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项目类别:Continuing Grant
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资助金额:$0.0万
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财政年份:2003
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负责人:Rodney Bartlett
-
依托单位:
KDI: Multi-scale Simulation Including Chemical Reactivity in Materials Behavior Through Integrated Computational Hierarchies
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批准号:9980015
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项目类别:Standard Grant
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资助金额:$220.0万
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财政年份:1999
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负责人:Rodney Bartlett
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依托单位:
Workshop on Coupled-Cluster Theory at the Interface of Atomic Physics and Quantum Chemistry, Cambridge, MA, Summer 1990
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批准号:9014077
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项目类别:Standard Grant
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资助金额:$0.0万
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财政年份:1990
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负责人:Rodney Bartlett
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依托单位:
国内基金
海外基金
基于指令层次的网页木马渗透攻击机理分析与检测方法研究
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批准号:61003217
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项目类别:青年科学基金项目
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资助金额:18.0万元
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批准年份:2010
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负责人:诸葛建伟
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依托单位: