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atomistic simulation methods, such as molecular dynamics, density functional theory, and machine-learning force fields, to elucidate the deformation mechanisms activated by external stimuli. The candidate
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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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to leverage quantum computing and quantum sensing technologies for the development and optimization of next-generation batteries. Quantum computing bears tremendous potential in the simulation of interactions
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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