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) with DFT atomistic simulations to investigate the electronic structure and defect states in wide bandgap semiconductor nanomaterials. The goal is to better understand and optimize function
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molecular dynamics simulations, applicable to materials science, biomolecules, or a related field. Programming experience (e.g., Python), with a strong background in developing and applying computational
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different types of simulations at different scales. For the atomic level, you will use atomistic molecular dynamics simulations, which are so expensive computationally that supercomputers are needed
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practices. Preferred Knowledge, Skills, and Abilities: You have experience with electronic-structure or atomistic simulation workflows (e.g., VASP, Quantum ESPRESSO) and associated Python tools such as ASE
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, Chemistry, or a related discipline. Required Certification, Licensure/Other Credentials Preferred Qualifications Knowledge/Skills/Abilities Experience in scientific programming, atomistic simulations and/or