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Field
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vibrations), and structural (migration of atoms) effects with an atomistic resolution. This can be achieved by self-consistently coupling molecular dynamics (MD), density-functional theory (DFT), and quantum
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an autonomous framework for setting up, executing, and optimizing complex electronic structure workflows, ranging from ground-state Density Functional Theory (DFT) to many-body perturbation theory methods such as
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assemblies, ideally with a focus on battery materials. Demonstrated proficiency in Density Functional Theory (DFT) and/or Molecular Dynamics (MD) simulations, enabling the computational investigation
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(EDA) tools. Experience working with ab-initio methods for materials simulation e.g. Density Functional Theory (DFT). Experience working with large collaborative code projects. Proficiency in applying AI
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. South Carolina Retirement Yes State Insurance Programs Yes Annual Leave Yes Sick Leave Yes Position Description Advertised Job Summary A postdoctoral scholar will work on combining density functional