U.S.-Iceland Workshop: Simulations of Long Time Scale Dynamics: Molecular and Continuum Descriptions; Reykjavik, Iceland, June 26-30, 2000
U.S.-Iceland Workshop: Simulations of Long Time Scale Dynamics: Molecular and Continuum Descriptions; Reykjavik, Iceland, June 26-30, 2000
批准号:
0086266
负责人:
Hannes Jonsson
金额:
$0.84万
依托单位:
依托单位国家:
美国
项目类别:
Standard Grant
财政年份:
2000
资助国家:
美国
项目状态:
已结题
起止时间:
2000-06-15 至 2001-05-31
中文摘要
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英文摘要
The Division of International Programs and the Division of Chemistry support Hannes Jonsson for a workshop on "Simulations of Long Time Scale Dynamics: Molecular and Continuum Descriptions" at the University of Reykjavik in Iceland. The focus of the workshop is on new developments in simulations of atomic systems over long time scales and the coupling of atomistic simulations with continuum descriptions. The workshop will bring together researchers who are approaching this problem from different perspectives with different tools and to highlight the strengths and weaknesses of the various approaches.Dynamical simulations such as those covered in this workshop have led to insight and understanding in many diverse areas such as materials design, drug discovery, and protein structure. Current simulations are limited to extremely short time scales, about a nanosecond or less. It is important to find ways to carry out molecular-level simulations on the much longer time scales of interest for applications in chemistry and materials science.
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会议论文
Development of Algorithms for DFT Calculations of the Rate of Transitions In Ground and Excited States
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批准号:0111468
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项目类别:Continuing Grant
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资助金额:$31.8万
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财政年份:2001
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负责人:Hannes Jonsson
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依托单位:
KDI: Amorphous and Crystalline Ice Growth
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批准号:9980125
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项目类别:Standard Grant
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资助金额:$120.0万
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财政年份:1999
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负责人:Hannes Jonsson
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依托单位:
Development of Computer Algorithms for Density Functional Theory Simulations and Applications to Crystal Growth
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批准号:9710995
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项目类别:Standard Grant
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资助金额:$28.72万
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财政年份:1997
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负责人:Hannes Jonsson
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依托单位:
Computer Simulations of Thin Films and Interfaces
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批准号:9217774
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项目类别:Continuing Grant
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资助金额:$11.7万
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财政年份:1993
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负责人:Hannes Jonsson
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依托单位:
Development of Parallel Car-Parrinello Code and Application to Simulations of Liquid Silicon and Aluminum
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批准号:9217294
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项目类别:Continuing Grant
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资助金额:$12.78万
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财政年份:1992
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负责人:Hannes Jonsson
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依托单位:
Computational Chemistry Teaching Facility at the University of Washington
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批准号:9114495
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项目类别:Standard Grant
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资助金额:$12.07万
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财政年份:1991
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负责人:Hannes Jonsson
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依托单位:
海外基金