A molecular simulation module-development community

分子模拟模块开发社区

• 批准号: 0618521
• 负责人: David Kofke
• 金额: $ 49.16万
• 依托单位: Cache Corporation
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2006
• 资助国家: 美国
• 起止时间: 2006-10-01 至 2011-09-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0618521&HistoricalAwards=false
• 关键词: molecular; simulation; module; development; community

Engineering - Chemical (53)This project addresses obstacles preventing the widespread use of molecular simulation as a tool for instruction in courses that involve thermodynamics, transport, kinetics, materials science, and biology. The primary focus is on producing molecular simulation modules, each comprising (1) a graphically oriented, interactive, and quantitative molecular simulation, and (2) supporting materials presented in a convenient web-based format and which facilitates use and assessment of the simulation modules. The primary obstacle preventing the development of such resources is the lack of overlap between those capable of producing interactive molecular simulations and those who have the technical expertise and perspective to invent modules appropriate to the broad array of topics where they can be useful. The project addresses this problem by a mechanism of proposal-initiated collaborations between content experts and the project investigators, who have the necessary expertise to produce and assess simulation-based modules. The project aims to produce twelve modules while examining their effectiveness as a tool for learning molecular concepts. The modules are self-contained, self-explanatory, and easily disseminated via the internet; consequently will be used by educators at institutions nationwide.

工程 - 化学（53）该项目解决了障碍，以防止分子模拟广泛使用作为涉及热力学，运输，动力学，材料科学和生物学的课程的教学工具。 主要的重点是产生分子模拟模块，每个模块包括（1）以图形为导向，交互式和定量分子模拟，以及（2）以便捷的基于Web的格式提出的支持材料，并促进对模拟模块的使用和评估。 。 阻止这种资源发展的主要障碍是那些能够产生交互式分子模拟的人与具有技术专业知识和观点的人之间缺乏重叠，以发明适合于广泛主题的模块。 该项目通过内容专家与项目调查人员之间的提案引发合作的机制来解决这个问题，这些调查人员具有生产和评估基于仿真模块的必要专业知识。 该项目旨在生产十二个模块，同时研究其有效性作为学习分子概念的工具。 这些模块具有独立，自我解释，并且可以通过互联网轻松传播。因此，全国机构的教育者将使用。