Cl2O4 in the Stratosphere: A Module from the Physical Chemistry On-Line Project

Whisnant, David M.; Lever, Lisa S.; Howe, Jerry J.

doi:10.1021/ed082p334

Cited by 1 publication

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“…Introduction and demonstrate of various molecular simulation techniques in the classroom are reported in various articles. (Paselk and Zoellner, 2002, Whisnant et al, 2000, Taylor and Feller, 2002, Cramer et al, 2001 We propose here use of basic student friendly molecular modeling tools in classroom teachings and laboratory practices. Engineering students understand the Newtonian Mechanics very well and, therefore, Molecular Dynamics (MD) is an apt part of molecular modelling approach in getting the students involved in their own learning by doing the simulations.…”

Section: Introductionmentioning

confidence: 99%

Molecular Dynamics: A Tool for Undergraduate Engineering Students to Transform Their Understanding of Chemistry at Molecular Level

Singh¹,

Gaikar²

2016

Journal of Engineering Education Transformations

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Molecular dynamics is a valuable tool in the field of chemistry that can be introduced as part of curriculum for engineering students at undergraduate (UG) level for better understanding of chemistry. Particularly engineering UG students have difficulty in understanding chemistry in terms of the molecular structures. Newtonian mechanics on the other hand is easily understood by the students pursuing engineering. Molecular dynamics, the branch of computational chemistry therefore can help these students to understand chemistry better if students also interpret the data and images produced by MD simulation. This case study describes the use of GROMACS, an open source code and visualizing packages like CHIMERA and VMD as a tool to perform MD simulations, which successfully reformed the approach of undergraduate students towards chemistry. The Molecular dynamics workshop was conducted for undergraduate students during summer vacation of 2015 to emphasize on conceptual understanding of chemistry and physics, using real life examples of mass transfer of compounds from one phase to another phase. This exercise encouraged the participating students to initiate their own learning in the field of molecular modeling.

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Section: Introductionmentioning

confidence: 99%