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Electronic Theses and Dissertations for Graduate School
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ReaxFF
14
DFT
6
Molecular Dynamics
6
Density Functional Theory
4
molecular dynamics
4
Catalysis
3
Ceria
3
Combustion
3
Computational Chemistry
2
Diffusion
2
Energetic Material
2
Lithium-ion battery
2
Lithium-sulfur battery
2
MD
2
Molecular dynamics
2
Nanoscale
2
Nickel
2
Palladium
2
SERS
2
Thermal Decomposition
2