P965: Using high-quality calculations to help students visualize chemical principles

Author: Jay S. Shore, South Dakota State University, USA

Co-Author:

Date: 8/7/14

Time: 11:30 AM11:50 AM

Room: LMH 176

Related Symposium: S55

With increased access to computer clusters with a range of computational software, more types of high-quality calculations related to chemical principles are possible. With open-source software, these calculations can be turned in to high-resolution movies or interactive jmol-based webpages. This process of making visualizations has been automated using scripts, resulting in a large number of movies and jmol webpages, with every part of the visualization accurately represented, including energy level diagrams drawn to scale. Visualizations based on inaccurate calculations may unintentionally mislead students and result in them developing misconceptions about basic chemical concepts. Examples of commonly used visualizations that lead to unintended chemical misunderstandings and of not so commonly used visualizations created using high quality calculations will be presented. Some of the movies can be viewed at http://youtube.com/JaySShore.