1. Molecular Modeling and Visualization Tools in Science Education ChemSenseChemViz Molecular Workbench Virtual Molecular Dynamics Lab NARST Convention Philadelphia, PA March 23, 2003

2. Why Do We Do This? n Computer modeling has provided a “window to the unseen” and transformed science research n The “GAP” between the research lab and the science classroom is getting smaller n Science learning is abstract especially when dealing with “what we cannot see”

3. Boston University: Virtual Molecular Dynamics Laboratory n Simple Molecular Dynamics 2-D Lennard-Jones Potential models monoatomic gases with focus on quantitative tools 2-D Lennard-Jones Potential models monoatomic gases with focus on quantitative tools n Universal Molecular Dynamics 2- or 3-D interactive Square-Well Potential that models chemical reactions, polymers, or other complex intermolecular interactions 2- or 3-D interactive Square-Well Potential that models chemical reactions, polymers, or other complex intermolecular interactions n Water 3-D ice/water network employing research- based models 3-D ice/water network employing research- based models

4. Topics n Temperature and States of Matter n Ideal Gases –Boyle’s Law –Charles’ Law –Avogadro’s Law –Ideal Gas Law –Dalton’s Law n Real Gases –Size of a molecule –Molecule interaction parameter n Energy and Intermolecular Forces n Molecular Motion –Graham’s Law –Distribution of molecular velocities –Heat transfer n Thermochemistry n Phase transitions n Solutions n Molecular Biology –Protein Folding –DNA –Membranes and Transport n Water

5. What’s needed to make this work? n Pedagogically sound software tools n Appropriate linkages to wet labs n Curriculum that is accessible n Teacher professional development n Teacher curriculum development n Year-long teacher support n Opportunities for student/teacher research n After school or at-home reinforcement n Student support and connections to scientists n Education research and evaluation