Molecular Dynamics and Theoretical Chemistry

Program Description

Molecular Dynamics

This program seeks a molecular-level description of reaction mechanisms and energy transfer processes related to the efficient storage and utilization of energy. The program supports cutting-edge experimental and joint theory-experiment studies that address key, fundamental questions in these areas. There are four major focus areas in the program: 

• Catalytic Reactivity and Mechanisms 
• Novel Energetic Material Concepts 
• Dynamics of Energy Transfer and Transport 
• Chemistry in Extreme Environments

Theoretical Chemistry

The theoretical chemistry program supports research to develop new methods that can be utilized as predictive tools for designing new materials and improving processes important to the U.S. Air Force and Space Force. These new methods can be applied to areas such as the structure and stability of molecular systems that can be used as advanced propellants; molecular reaction dynamics; and the structure and properties of nanostructures and interfaces. We seek new theoretical and computational tools to identify novel energetic molecules or catalysts for their formation, investigate the interactions that control or limit the stability of these systems, and help guide synthesis by identifying the most promising synthetic reaction pathways and predicting the effects of condensed media on synthesis.

You are highly encouraged to contact our Program Officer prior to developing a full proposal to briefly discuss the current state-of-the-art, how your research would advance it, and the approximate cost for a three (3) to five (5) year effort, and if there are any specific submission target dates.

Solicitation
BAA

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Program Reviews & Meetings

Contact Information
Dr. Michael Berman
AFOSR/RTB-2
Email: MDTC@us.af.mil