1. VR Molecules Interactive Multimedia Simulation of Molecule Vibration & Rotation Marc Couture Télé-université/UQAM mcouture@teluq.uqam.ca teluq.uqam.ca/spersonnel/mcouture MERLOT 2007 Conference New Orleans August 8

2. Summary 1.Context 2.Let’s have a look 3.Under the hood 4.Using VR Molecules 5.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. The math 3. Under the hood 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. 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) 4. Using VR Molecules

8. 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 4. Using VR Molecules (continued)

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 !