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behavior within the storage system to optimize design and performance. Demonstrated proficiency in Density Functional Theory (DFT) and/or Molecular Dynamics (MD) simulations, enabling the computational
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advanced characterization methods of inorganic materials and their assemblies, ideally with a focus on battery materials. Demonstrated proficiency in Density Functional Theory (DFT) and/or Molecular Dynamics
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polymeric matrices. The incumbent will be expected to: Lead the group’s theory and modeling effort by means of quantum chemistry, statistical mechanical theory of molecular liquid, and molecular dynamics
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molecular dynamics (MD) simulations and first principle calculations. Possess a comprehensive understanding of nanoscale surface chemistry. Contribute to research and development in energy conversion and
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chemicals. Study chemical kinetics and chemistry in the context of plasma physics, emphasizing atomic, molecular, optical physics, and chemical sciences Develop advances instrumentation, essentially in-situ
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(DFTB), and Molecular Dynamics (MD) simulations, among others. Proficiency in using both commercial and open-source computational modeling platforms such as Materials Studio, QUANTUM ESPRESSO, CASTEP