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. Approaches researched: molecular dynamics, quantum simulations, machine learning/AI, and high-throughput computing. Required: Mgr./MSc. in chemistry, physics, computer science, or a related field If you are
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this goal, doped-diamond systems will be considered. The thermal stability of selected compounds under operating conditions will be assessed by means of molecular dynamics simulations with Machine Learning
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, molecular dynamics, stochastic dynamics, Monte Carlo and analytical methods) and its thorough validation using advanced experimental techniques (such as mass spectrometry, electron microscopy, radiochemistry
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