Collaborative Research: Cyberinfrastructure and Research Facilities: Process Informatics for Chemical Reaction Systems

合作研究：网络基础设施和研究设施：化学反应系统的过程信息学

• 批准号: 0535542
• 负责人: Michael Frenklach
• 金额: $ 107.35万
• 依托单位: University of California-Berkeley
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2005
• 资助国家: 美国
• 起止时间: 2005-09-01 至 2011-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0535542&HistoricalAwards=false
• 关键词: Collaborative; Research; Cyberinfrastructure; Facilities; Process

Michael Frenklach and Andrew Packard of the University of California at Berkeley, Craig Bowman of Stanford University, and William Green and Gregory McRae of the Massachusetts Institute of Technology are supported by the NSF Divisions of Chemistry and Shared Cyberinfrastructure, under the Cyberinfrastructure and Research Facilities Program. This collaborative project will develop tools and cyberinfrastructure to curate chemical kinetics data, including file management, database mining, and data visualization, as well as tools to assess and assure the mutual scientific consistency of the data. The initial focus on gas-phase chemistry will serve as an example for other communities in catalysis, liquid-phase processes, and biochemistry.The principal goal of this award is a proof-of-concept demonstration that collaborative data analysis and decision making will create qualitatively new advances in chemical sciences and in the practice of chemical kinetics. Outcomes of this project include this collaboratory for scientific knowledge management, publicly available software, and classroom modules for graduate and undergradute students.

加州大学伯克利分校的Michael Frenklach和Andrew Packard，斯坦福大学的克雷格鲍曼，以及马萨诸塞州理工学院的William绿色和Gregory麦克雷在网络基础设施和研究设施计划下得到了NSF化学和共享网络基础设施部门的支持。 该合作项目将开发工具和网络基础设施来管理化学动力学数据，包括文件管理，数据库挖掘和数据可视化，以及评估和确保数据相互科学一致性的工具。 该奖项的主要目标是通过概念验证，证明协同数据分析和决策将在化学科学和化学动力学实践中创造质的新进展。 该项目的成果包括科学知识管理的合作实验室，公开可用的软件，以及研究生和本科生的课堂模块。