ws99present

The Challenge of Challenging High School Students:A Workshop in Computational Chemistry: 

The Challenge of Challenging High School Students: A Workshop in Computational Chemistry E. Bruce Pitman Center for Computational Research University at Buffalo

Outreach: 

Outreach Foster the highest caliber training among the next generation of scientists Promote science to maintain an interest among high school students Mission UB: Education, Research, Service CCR: Research facility for University and WNY business HS program brings together these sometimes conflicting aims Computational Chemistry A strength of the University A testbed for ideas that can be transferred to local HSs

Students: 

Students 8 students Rely on HS science teachers for recommendations Rely on student self-selection 4 girls and 4 boys, 2 from Buffalo schools and 6 from suburban schools, 6 schools represented Aim high Assume familiarity with PCs Teach elements of UNIX, FORTRAN Focal point: Molecular Dynamics Simulation Toolkit But more than ‘Gee-Whiz’ -- students write some basic code

Syllabus week 1: 

Syllabus week 1

Syllabus week 2: 

Syllabus week 2

Hardware and Tools: 

Hardware and Tools 2 platforms SGI lab in mornings PCs in afternoon Tools Exceed for Xwindows Web for downloading code etc. Common visualization tools

Projects and Presentations: 

Projects and Presentations Projects: Thermal Conductivity Analysis of Hard Sphere and Square Well Potentials Simulation of Hemoglobin binding with CO and O2 Semipermiable Membrane Some writing of C++ code, Kofke and students PowerPoint presentations of results

Transfer of Ideas: 

Transfer of Ideas Possible adaptation in HSs 1 or 2 day presentations of thermodynamic concepts using Simulation toolkit to illustrate ideas 2-4 weeks working through several applets Semester course for advanced students covering MD, software, coding Without Simulation toolkit, several ideas can still be illustrated Best to teach the teachers Workshop for local HS teachers planned

Webpage: 

Webpage webpage www.ccr.buffalo.edu/Workshop99/index.html Faculty: Tom Furlani, David Kofke, Harry King, Matt Jones, Josh Horan