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VR Molecules Interactive Multimedia Simulation of Molecule Vibration & Rotation

This project, funded by the Université du Québec network, integrates virtual reality (VR) technology into distance education, specifically targeting molecular vibrations and rotations. Developed by physicist Marc Couture and a team of chemists, VR Molecules has been available in open access since 2004. The tool allows students to explore and simulate molecular dynamics in an interactive manner, fostering a deeper understanding of complex concepts. Future enhancements aim to expand the database and improve user functionalities, promoting richer learning experiences.

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VR Molecules Interactive Multimedia Simulation of Molecule Vibration & Rotation

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  1. VR MoleculesInteractive Multimedia Simulationof Molecule Vibration & Rotation Marc CoutureTélé-université/UQAM mcouture@teluq.uqam.cateluq.uqam.ca/spersonnel/mcouture MERLOT 2007 Conference New OrleansAugust 8

  2. Summary • Context • Let’s have a look • Under the hood • Using VR Molecules • What’s to come

  3. 1. Context • Project funded by Université du Québec network • 1 physicist (MC), a few chemists (’00-’03) • Télé-université • Distance education university, now part of Université du Québec at Montréal (UQAM) • No specialized science program, no chemistry courses • French-language online multimedia units integrating VR Molecules commercialized since ’03 by Université du Québec Press until this year • VR Molecules available in open access since ’04 (in French) and ’05 (in English)

  4. 2. Let’s have a look

  5. 3. Under the hood • The math • The physics • quantum / classical mix: discrete energy levels; zero-point energy / balls & sticks representation; classical velocities & amplitudes

  6. 3. Under the hood (continued) • The physics (cont’d) • mode configurations obtained from Herzberg’s book Molecular Spectra and Molecular Structure • validation by application of momentum and angular momentum conservation laws • The data • Excel file with all molecular parameters and formulae for amplitudes and conservation laws • internal database (40-odd molecules) imported from Excel file; alternate file may be loaded at startup • Data from various sources (Herzberg, NIST)

  7. 4. Using VR Molecules • Initial request: teacher’s tool for demonstrations in the classroom (“If we have the right tool to show it, they’ll understand”) • Online version (VR Molecules) to allow students: • to (re)view the same demonstrations • to freely explore (play with?) the simulation • At first, two versions • VR Molecules Pro, a stand-alone application which allowed the creation of configuration files and multimedia documents ($$$) • VR Molecules, a read-only online version (free)

  8. 4. Using VR Molecules (continued) • Multimedia units (in French) integrating VR Molecules and some specific-purpose animations/simulations ($$$) • All resources now available in open access • More advanced features allowing for richer learning activities • displaying other molecules defined in the database • adding new molecules in the database • Students should learn much in the way the simulation’s creator did

  9. 5. What’s to come • Discussions/data about actual classroom/student use of VR Molecules • Enlarging the database => collaboration • Enhancing higher-level functionalities (e.g. choosing & adding molecules) and making them more user-friendly

  10. Acknowledgments • Alexandre Ayotte: expert graphics designer and programmer (a rare combination) • Guy Collin: chemistry professor, retired but in no way retarded • Université du Québec (and its Presses) and Télé-université

  11. Thank you !

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