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atomistic simulations, using both density functional theory and classical molecular dynamics, on ultrathin films of a range of ferroelectric perovskites of technological interest. This position is supported
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functional theory) and high-performance computing. Additional background in renewable energy, surface science, catalysis, and/or machine learning. Strong programming skills in Python and some exposure to
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of education programmes. About the role Applications are invited for a postdoctoral position in the group of Dr. Chiara Gattinoni — within the Theory and Simulation of Condensed Matter research group
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, Physics, Computational Chemistry, Nanoscience, Chemical Engineering, or a related field. Strong background in modelling (electro)catalytic processes using periodic density functional theory (DFT) is
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, chemistry, computational science, or a related field. Strong expertise in at least two of the following: density functional theory (DFT)/many-body methods, molecular dynamics (MD), machine learning (ML
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special supplemental travel funds to support costs associated with foreign travel. These funds are in addition to the stipend and stipend supplements awarded as part of the base FES postdoctoral research
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related field are particularly encouraged to apply.We seek candidates with expertise in some or all the following areas: density functional theory, deep learning, high-throughput simulations, molecular
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Contribute to the preparation of scientific and technical reports. Develop and apply methodologies based on Density Functional Theory (DFT) to complex systems. Support simulation tasks and results analysis
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networks and transformers. Practical experience with density functional theory (setups, convergence, interpreting outputs). Strong Python and deep-learning stack (preferably PyTorch); good software practices
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the underlying molecular structure. Primary responsibilities for this position include the development of computational models to simulate scintillator properties using time-dependent density functional theory and