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Opportunity at Air Force Research Laboratory (AFRL)

Computational Studies of Energetic Materials for Rocket Propulsion Applications


Aerospace Systems Directorate, RQ/Chemistry and Chemical Tech

RO# Location
13.30.03.B6678 Edwards Air Force Base, CA 93524


Name E-mail Phone
Boatz, Jerry A. 661.275.5364


This research focuses on the application of high-level quantum chemical computations to the study of advanced materials for space and missile propulsion applications. These calculations are used to predict the thermodynamic and kinetic stability, performance, spectroscopy, potential synthesis routes, reaction pathways, and other properties of candidate molecules and materials. For example, these results aid in the initial screening of new energetic compounds for subsequent experimental synthesis, characterization, and scaleup. Specific classes of compounds of interest include energetic ionic liquids, polynitrogen/high-nitrogen compounds, energetic solid ingredients, propellant catalysts, new oxidizers, and oxidation-resistant materials. Because of the large size and complexity of many of the compounds of interest, utilization of high-performance computing methods and resources is an essential component of this research effort. A critically important resource for these studies are state-of-the-art high-performance computing systems made available to DOD researchers through the High Performance Computing Modernization Program.


Energetic materials; Quantum chemistry; Computational molecular chemistry; High-performance computing;


Citizenship:  Open to U.S. citizens
Level:  Open to Postdoctoral and Senior applicants
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