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to density functional theory (DFT) calculations and the generation of high-quality atomistic datasets for the development of analytical bond-order potentials (ADP) and machine-learned interatomic potentials
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University of North Carolina at Chapel Hill | Chapel Hill, North Carolina | United States | about 1 month ago
laboratory safety protocols. Strong written and oral communication skills and a record of scientific writing. DFT/MD modeling expertise. Familiar with Python and Linux Special Physical/Mental Requirements
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field. Strong computational chemistry background in atomistic simulations, electronic-structure theory, DFT, structure-property relationships, and interpretation of simulation results. Hands-on experience
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structural techniques for probing the interface, such as SEIRAS and STM, with computational methods to develop new electrochemical models. The computational work focuses on combining DFT methods
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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. The postdoc researcher will perform DFT calculations and develop methods to accelerate