Workshop: Constructing a Kinetics Database; April 19-21, 2004; Gaithersburg, MD

该奖项由数学和物理科学局的化学和材料研究部以及工程局的化学和运输系统部颁发，以支持由奥本大学的大卫·M·斯坦伯里组织的关于构建动力学数据库的研讨会，该研讨会将于2004年4月19-21日在美国国家标准与技术研究所(NIST)举行。讲习班将讨论为确定现有数据库是否足以积累气相、溶液、生化和固态反应的基本动力学数据而提出的16个问题。这些问题的答案很可能要求建立一个新的动力学数据库。执行这项任务预计将需要成立一个委员会，该委员会可在讲习班期间设立，以制定数据库的标准并确保其建立。讲习班将为委员会提供关于确定和界定创建数据库的组织结构的指导。在建立数据库项目之后，预计委员会将继续发挥咨询和监督作用。在委员会主持下的讲习班后一年内可能实现的具体目标是：1)为委员会的运作争取资金。2)就国家标准与技术研究所(NIST)或其他组织是否将为建立和维护数据库提供场地、项目负责人和资源提出意见。3)确定数据库的总体架构的规格。4)制定路线图以获得资金，以启动数据收集和存储软件的设计和创建。5)与适当的期刊谈判示范协议，使期刊或其投稿作者以标准格式向数据库提交其动力学数据。6)就学术界、工业界和政府的用户如何最好地挖掘数据提出建议。

This award in the Divisions of Chemistry and Materials Research in the Directorate of Mathematical and Physical Sciences and in the Division of Chemical and Transport Systems in the Directorate of Engineering supports a Workshop on Constructing a Kinetics Database organized by David M. Stanbury of Auburn University to be held at the National Institute of Standards and Technology (NIST) on April 19-21, 2004. The Workshop will address 16 questions posed to determine whether existing databases are adequate for accumulating essential kinetic data in gas phase, solution, biochemical and solid state reactions. The answers to these questions are likely to mandate the creation of a new kinetics database. Implementation of this mandate is expected to require the formation of a committee, which could be established during the Workshop, to develop standards for the database and to ensure its creation. The Workshop would provide the committee with guidance as to identifying and defining the organizational structure for creating the database. After establishing the database project, it is expected that the committee would continue in an advisory and oversight capacity. Possible specific goals to be reached within one year after the Workshop under the committee's auspices are: 1) Securing funds for the committee's operation. 2) Rendering an opinion as to whether the National Institute of Standards and Technology (NIST) or some other organization would provide the site, project leader, and resources for establishing and maintaining the database. 3) Determining specifications for an overall architecture for the database. 4) Developing a road map to secure funds to initiate the design and creation of the software for data collection and storage. 5) Negotiating model agreements with appropriate journals that would cause the journals or their contributing authors to submit their kinetic data to the database in a standard format. 6) Suggesting mechanisms as to how the data might best be mined by users in academia, industry and government.