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. Kinetic rates will be calculated on the fly from molecular dynamics simulations using machine learning potentials. This approach will provide guidelines to steer the formation process of zeolites by tuning
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the formation process. However, the complexity and timescale of that process is beyond the reach of traditional molecular simulations. Therefore, this project will apply adaptive kinetic Monte Carlo simulations
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of theoretical and computational materials physics. Position You will work actively on the preparation and defence of a PhD thesis in the field of computational and theoretical materials physics. You will study
Searches related to computational physics simulation
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