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simulation (classical and ab-initio molecular dynamics, DFT, simulations) Proficiency in programming languages like Python, C++, or Fortran for custom analysis tools. Experience in developing workflows
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members working on novel high-resolution microscopy techniques to experimentally quantify transition probabilities, alongside density functional theory (DFT) calculations of defects in feldspar. This inter
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help. Tasks and responsibilities: You will collect and homogenize the available anharmonic DFT calculations of PAHs available in the team You will implement neural networks based on PAH molecular
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purification. The postdoc will perform theoretical simulations of 3D/2D materials by primarily Density Functional theory (DFT), for identification of ground state crystal structure, composition and properties
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will collaborate with other team members working on novel high-resolution microscopy techniques to experimentally quantify transition probabilities, alongside density functional theory (DFT) calculations
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University of North Carolina at Chapel Hill | Chapel Hill, North Carolina | United States | about 2 months ago
materials research group led by Dr. Mengen Wang is seeking a postdoc researcher to work on computational materials and machine learning-driven materials discovery. The postdoc researcher will perform DFT and
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University of North Carolina at Chapel Hill | Chapel Hill, North Carolina | United States | about 8 hours ago
materials research group led by Dr. Mengen Wang is seeking a postdoc researcher to work on computational materials and machine learning-driven materials discovery. The postdoc researcher will perform DFT and
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Duties and Responsibilities: You will perform molecular dynamics simulations using MILPs. You will perform density functional theory (DFT) calculations for solid state materials. You will build and train
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quantum mechanical calculations (e.g., first principles density functional theory (DFT)) to identify the structures and to understand the complex mechanisms of molecular reactions occurring at the surface
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, or related disciplines. Knowledge and Professional Experience: DFT-based methods. First-principles electronic structure calculations and user-level high performance computing. Programming skills