Energetic Materials Design MURI Kick-off Meeting
16-17 October 2002
Rodman Building (4600), CR 1039, Aberdeen Proving Ground
(Click for map to meeting location.)

AGENDA

Click for all kick-off meeting abstracts.

Wednesday, October 16, 2002

Informal discussions between MURI PIs* and Army Scientists

09:00 Heat Feedback: M. Miller, W. Anderson, J. Adams
10:30 Atomic Level Modeling: B. Rice, D. Thompson,
13:00 Quantum Chemistry: C. Chabalowski, R. Bartlett
14:30 Separation and Solvation: J. Morris, D. Thompson
15:30 DOD Energetics: B. Forch, D. Mann, D. Thompson

*discussion leaders identified, all interested others invited, other meetings as people wish

No-Host Dinner For As Many MURI, Army, And Others As Can Make It

Thursday, October 16, 2002

Formal Project Review

08:00 - 08:15 Welcome - ARL Director
08:15 - 08:30 Remarks - D. Mann, R. Shaw

Morning Presentations: Chair - D. Mann

08:30 - 09:00	Overview of the MURI Project: Donald L. Thompson (Oklahoma State U)
09:00 - 09:30	Structure and Density Predictions for Energetic Materials Herman L. Ammon (U Maryland)
09:30- 10:00	First Principles Simulations of Energetic Materials David Ceperley and Richard Martin (U Illinois)
10:00 - 10:30	Break
10:30 - 11:00	Electronic Structure Theory for Energetic Molecules Rodney J. Bartlett (U Florida)
11:00 - 11:30	Quantum-Based, Reactive Potentials for Simulating Shock Dynamics of Condensed-Phase Energetic Materials D. W. Brenner (North Carolina State U)
11:30 - 12:00	Gas-Condensed Phase Interactions: Flame-Surface Heat Exchange John E. Adams (University of Missouri, Columbia)
12:00 - 13:00	Lunch brought to meeting room

Afternoon Presentations: Chair - R. Shaw

13:00 - 13:30	Simulation of Physical/Chemical Processes in Gas, Liquid, Solid Phases Donald L. Thompson (Oklahoma State U)
13:30 - 14:00	Development of methods for predicting salvation and separation for energetic materials in supercritical fluids Christopher J. Cramer and Donald G. Truhlar (U Minnesota)
14:00 - 14:15	Questions/Discussion on MURI Presentations
14:15 - 15:00	Theoretical Chemistry: Applications in Energetic Materials Research Betsy M. Rice (ARL)
15:00 - 15:15	Break
15:15 - 16:00	Burning Rate Models and their Successors Martin S. Miller (ARL)
16:00 - 16:45	National Initiative on Advanced Energetics Brad Forch (ARL)
16:45 - 17:30	Discussion/plans for cooperation among MURI/Army/other DOD interactions