J. Chem. Phys. 2024
Liu, Batyrev, Byrd, Chung
Vibrational energy transfer in RDX
A non-equilibrium kinetic model resolves how selective IR excitation drives vibrational populations in RDX.
Research at CECD
Innovation at the interface of science and engineering
From fundamental chemistry to deployable engineering, CECD pursues research at every scale. Advancing energetic materials science in service of national security and the public good.
ChemistryRDX
Energetic Materials
Chemistry, physics, and behavior of propellants, explosives, and reactive systems across length and time scales.
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MLNLP
Machine Learning & AI
Data-driven discovery, generative molecular design, knowledge graphs, and ML-augmented property prediction.
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PhononsBTE
Phonon & Thermal Transport
Phonon kinetics, anisotropic Boltzmann transport, and thermal conductivity in crystals and molecular solids.
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DDDDefects
Dislocation Dynamics
Discrete dislocation dynamics, defect operators, and plasticity in HCP, GaN, and molecular crystals.
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ShockFEM
Shock & Multiscale Mechanics
Shock compression, multiscale FEM, and asymptotic homogenization for heterogeneous and energetic solids.
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2DAtomic Layers
2D Materials & Atomic Layers
Electron and phonon properties of HfS₂, MoS₂, and other low-dimensional crystals, including reversible structural transitions.
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WettingInterfaces
Surfaces & Interfaces
Wetting, hydrophobicity, polyelectrolyte brushes, and chemical heterogeneity at engineered surfaces.
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Recent results
A selection of recent published work from CECD investigators, spanning theory, computation, synthesis, and experimental diagnostics.
J. Chem. Inf. 2025
O'Ryan et al.
Automated knowledge graphs for energetics
Domain-specific NLP pipelines compress decades of energetic-materials literature into queryable structure-property graphs.
J. Appl. Phys. 2023
Balakrishnan et al.
ML shock compression from scarce data
Interpretable ML models extract Hugoniot behavior from sparse experimental datasets.
How we collaborate
CECD's work is organized through a portfolio of programs that connect investigators with federal agencies, national laboratories, and industry partners, and that train the next generation of researchers in energetics science and engineering.
Center Programs
Multi-investigator centers tackling grand challenges through coordinated theoretical, computational, and experimental research.
Investigator Awards
PI-led projects pursuing high-risk, high-reward fundamental science, the seedbed for tomorrow's breakthrough capabilities.
Industry Partnerships
Collaborative agreements with industry to translate fundamental discoveries into deployable technology.
Student & Postdoc Training
A pipeline for the next generation of energetics researchers across all focus areas.
Partner with CECD
Whether you represent industry, a national lab, or a federal agency, we welcome inquiries about collaborative research, sponsored programs, and strategic partnerships.