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Direct linkDerek J. Bischoff; Michael E. Mackay; Sheldon A. Hewlett – Journal of Chemical Education, 2024
Upper-division undergraduate students are introduced to polymer processing using material extrusion fused filament fabrication 3D printing to make poly(lactic acid) (PLA) mechanical testing specimens. Computer aided design and slicing software packages are used to demonstrate the process of preparing 3D computer models for printing. Following the…
Descriptors: Plastics, Mathematical Models, Printing, Computer Peripherals
Tantillo, Dean J.; Siegel, Justin B.; Saunders, Carla M.; Palazzo, Teresa A.; Painter, Phillip P.; O'Brien, Terrence E.; Nuñez, Nicole N.; Nouri, Dustin H.; Lodewyk, Michael W.; Hudson, Brandi M.; Hare, Stephanie R.; Davis, Rebecca L. – Journal of Chemical Education, 2019
A series of computational laboratory experiments aimed at teaching students principles of rational drug design are described and evaluated. These experiments range from an introduction to viewing protein-ligand complexes to optimizing geometries of potential drugs with quantum chemistry and automated docking. Student feedback indicates that such a…
Descriptors: Undergraduate Students, Laboratory Experiments, Chemistry, College Science
Hoyer, Chad E.; Kegerreis, Jeb S. – Journal of Chemical Education, 2013
The essentials of Monte Carlo integration are presented for use in an upper-level physical chemistry setting. A Mathcad document that aids in the dissemination and utilization of this information is described and is available in the Supporting Information. A brief outline of Monte Carlo integration is given, along with ideas and pedagogy for…
Descriptors: Monte Carlo Methods, Chemistry, Physics, Computer Assisted Design
