A molecular simulation module-development community

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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.