Atomistic and Machine-Learning Modelling of the Aluminum Combustion (M/F)

EURAXESS hosting organisation · عدة بلدان أوروبية

The way aluminum is reacting with an oxidative atmosphere is of major interest in a number of timely applications, i.e. propellants, energetic materials at large, cyclable green energy production … We are seeking a strongly motivated post-doctoral researcher to work on the modelling of the high temperature Al-O system. The candidate will take in charge DFT and AIMD (ab initio Molecular Dynamics) calculations to complete the set of already available data from our group, to answer specific and mechanistic at the most fundamental level of these systems. He will further develop MLP (Machine Learning Potential) using standard techniques, including active learning procedures. The project has several scientific objectives: (i) Establish/consolidate a machine learning interatomic potential dedicat

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