2004 ARMY ENERGETIC MATERIALS MURI REVIEW
Accurate Theoretical Predictions of the Properties of Energetic Materials
Picatinny Arsenal Officers' Club
27 October 2004

Purpose of the Meeting:
1. Presentations by MURI PI's on:
         a. Their tools and special areas of expertise specifically related to MURI objectives.
         b. Their research accomplishemnts to date.
         c. Their collaborations with Army and other DoD and DOE scientists and engineers.
         d. Their plans for the coming year.
2. Review and Discussion by DoD and DOE Scientists

Wednesday 27 October 2004
08:00 - 08:10      Welcome - Dr. Joseph Lannon

MURI Review: Accurate Theoretical Predictions of the Properties of Energetic Materials
08:10 - 08:20      Remarks - R. Shaw

Morning Presentations: Chair - D. Mann
08:20 - 08:40      MURI Overview: Don Thompson (U MO)
                            Powerpoint Presentation         Abstract

08:40 - 09:10      Structure/Density/Heat of Formation/Sensitivity Predictions: Herman Ammon (U MD)
                            Powerpoint Presentation         Abstract

09:10 - 09:40      Quantum Simulation of Materials under Extreme Conditions: Richard Martin and David Ceperley (U IL)
                            Powerpoint Presentation         Abstract

10:00 - 10:30      Ab Initio Predictions of Chemical Reactions: Rodney Bartlett (U FL)
                            Powerpoint Presentation         Abstract

10:30 - 11:00      Intermolecular Potentials: Donald Brenner (NCSU)
                            Powerpoint Presentation         Abstract

11:00 - 11:30      Gas-Condensed Phase Interactions: Flame-Surface Heat Exchange: John Adams (U MO)
                            Powerpoint Presentation         Abstract

11:30 - 12:00      Simulation of Physical/Chemical Processes in Gas, Liquid, Solid Phases: Don Thompson
                            Powerpoint Presentation         Abstract

Afternoon Presentations: Chair - R. Shaw
13:00 - 13:30      Prediction of Separation and Solvation Behavior: Donald Truhlar, Christopher Cramer (U MN)
                            Powerpoint Presentation         Abstract

13:30 - 14:00      Status of ARL Projects and MURI Interactions: Betsy Rice (ARL)
14:30 - 15:00      Questions/Discussion on MURI Presentations

15:30 - 16:00      New ARO Project: First-principle predictions of crystal structure of energetic materials: Krzysztof Szalewicz