Day 1 Workshop Program/Synopsis...
8:30 AM
 Welcome, Introductions & Announcements
9:00 AM
 Introduction to Computational Chemistry: Historical Perspective and Recent Success Stories
9:30 AM
 Internet Resources for Computational Chemistry
10:00 AM
 Morning Refreshment Break
10:30 AM
 Review & Comparison of Commercial Modeling Software
11:30 AM
 Theory and Applications of Molecular Mechanics - I: Classical Force Fields
12:00 Noon
 Non-Host Group Luncheon (catered)
1:00 PM
 Theory and Applications of Molecular Mechanics - II: More About Classical Force Fields
2:00 PM
 Demos & Supervised Hands-On Exercises:
Build your own molecules!
2:30 PM
 Afternoon Refreshment Break
3:00 PM
 Geometry Optimization of Molecules
4:00 PM
 Demos & Supervised Hands-On Exercises:
Optimization of your molecular systems
5:00 PM
 Day-1 Adjournment
Day 2 Workshop Program...
9:00 AM
 		Review of Day-1 Highlights - Questions?
9:30 AM
 		Review of Basic Quantum Mechanics (Molecular Orbital) Theory
10:30 AM
 		Morning Refreshment Break (Well deserved after QM review!)
11:00 AM
 		QM Calculation Methods:  Semiempirical, Ab Initio and Density Functional
12:00 Noon
 		Non-Host Group Luncheon (catered)
1:00 PM Demos & Supervised Hands-On Exercises:
How to set up and carry out QM calculations...
2:00 PM Computer-Aided Drug Discovery (CADD) - Guest Speaker                                                       
3:00 PM
 		Afternoon Refreshment Break
3:30 PM
 		Demos & Supervised Hands-On Exercises:
Building and optimizing more complex systems...
5:00 PM
 		Day-2 Adjournment
Day 3 Workshop Program...
9:00 AM Review of Day-1&2 Highlights - Questions?
9:30 AM Molecular Dynamics (MD) Simulations - Theory
10:30 AM Morning Refreshment Break (Well deserved after MD review!)
11:00 AM Monte Carlo and Lagevin Dynamics
11:30 AM Molecular Dynamics in Practice - Periodic Boundaries, Ensembles, etc. 
12:00 Noon Non-Host Group Luncheon (catered)
1:00 PM Demos & Supervised Hands-On Exercises:
How to set up and carry out an MD (or MC) simulation...
2:30 PM Afternoon Refreshment Break
3:00 PM Extracting Useful Information from MD Simulations: More Demos...
4:00 PM Review and Q&A Session - Open Discussion
5:00 PM Workshop Adjournment