A molecular simulation module-development community

工程-化学（53）本项目旨在解决在热力学、输运、动力学、材料科学和生物学等课程中广泛使用分子模拟作为教学工具的障碍。主要重点是生产分子模拟模块，每个模块包括(1)图形导向，交互式和定量的分子模拟，以及(2)以方便的基于网络的格式呈现的支持材料，并促进模拟模块的使用和评估。阻碍这类资源开发的主要障碍是，那些能够产生相互作用的分子模拟的人与那些具有技术专长和观点来发明适合于广泛主题的模块的人之间缺乏重叠。该项目通过内容专家和项目调查员之间的提议发起的协作机制来解决这个问题，项目调查员具有必要的专业知识来制作和评估基于模拟的模块。该项目旨在生产12个模块，同时检验它们作为学习分子概念工具的有效性。这些模块是独立的，自我解释的，并且很容易通过互联网传播；因此，将被全国教育机构的教育工作者使用。

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.