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POSTDOCTORAL ASSOCIATE, Research Laboratory of Electronics (RLE), to join a research project using molecular dynamics (MD) with reactive force fields to model the synthetic evolution and formation of hierarchical carbon black nanoparticles to be used as additives in Li-ion batteries. The methodology will follow that of recent work from the same group to develop high-performance carbon fibers. This method will be applied to develop a modeling framework that will follow the full synthesis process from a complex mixture of hydrocarbons to carbon black aggregates. The evolution from nmscale to larger scale will be explored using coarse-grain MD. Will develop methods using density functional theory/Monte Carlo to evaluate the mechanisms driving the electrical conductivity, include the role of nanostructure and chemistry. Will work closely with an industrial sponsor that will provide processing data, feedstock composition, and validation of performance.

Job Requirements

REQUIRED: a Ph.D. in computational physics, chemistry, or materials science; and comprehensive knowledge in molecular dynamics simulation with reactive force fields. PREFERRED: experience with density functional theory (DFT)/Monte Carlo, and experience with cross-graining MD. Job #22321

The initial appointment is for one year with and option to renew for a second and possibly a third year.

1/30/23