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to support machine learning model development to accelerate materials discovery: Perform high-throughput DFT and molecular dynamics simulations to investigate the thermodynamic, structural, and electronic
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valued. · Knowledge of chemical reactions and how to model them through computer simulations is highly valued. · Knowledge of classical molecular dynamics, including Machine Learning Interatomic Potentials
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computer-based systems and the preparation of data for inclusion in lab books, presentations and publications. Maintain a hardcopy or electronic lab book · Work in compliance with relevant Health and Safety
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