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and written. PREFERRED: Experience with DFT or quantum-chemical calculations. This is a one-year appointment that may be renewed based on funding and performance. Applications must contain: 1) a cover
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functional theory (DFT)-based approaches, coupled with effective continuum and/or tight-binding models derived from first-principles calculations. The project is part of a large, multi-institution
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into cellulose-solvent interactions and fiber formation. The candidate will develop models at different levels, including molecular dynamics, DFT, and mesoscale simulations. This multiscale approach will assist in
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. Knowledge and Professional Experience: DFT-based methods. Scientific programming in Fortran, in MPI/OpenMP-parallelised codes. Knowledge of other languages (in particular python) and of GPU offloading will be
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molecular systems. Method development, potentially in the realm of time-dependent current DFT, will likely also be required as we learn about physical phenomena underlying the CISS effect. Bhat group
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for molecular design (e.g., DFT, MD, AI/ML) is desired, but not required. · Strong oral and written communication skills are required. · Ph.D. in an experimental discipline, such as chemistry, materials
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Postdoctoral Research Associate- AI/ML Accelerated Theory Modeling & Simulation for Microelectronics
for model refinement. Perform multi-scale simulations (e.g. DFT / atomistic / phase-field simulations) to train AI/ML models. Conduct scientific research on ferroelectrics and/or 2D memristive materials
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-Vis. • Strong communication skills Preferred Qualifications • Experience with DFT and ab initio simulations. • Experience with high-pressure and synchrotron techniques. Required License/Registration
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with density functional theory (DFT) calculations. Experience with version control GitHub repositories, and Unix/Linux supercomputing environments. Good communication skills, including the ability
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, Openbabel, and RDKit packages. 5. Experience with density functional theory (DFT) calculations. 6. Experience with version control GitHub repositories, and Unix/Linux supercomputing environments. 7