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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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project around the development of AI models for predicting promising catalyst candidates to integrate molecular modelling techniques, experimental data bases and materials data bases together with novel AI
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. Applicants are invited to propose a research project around the development of AI models for predicting promising catalyst candidates to integrate molecular modelling techniques, experimental data bases and
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. Contribution to the design, implementation and testing of AiiDA-based exascale workflows that employ SIESTA, thus providing an additional avenue to leverage and saturate exascale performance. (Not all post
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, sparsity, and symmetry. Data pipeline: Curate datasets from DFT calculations (and, where relevant, Wannier/TB extractions); implement preprocessing, splits, and rigorous validation. Metrics and validation
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development Electrochemical measurements (CV, GCD, Impedance) for electrode and cell characterization. Final testing and validation. Post-mortem analysis of cells Patent/paper/ reports writing Dissemination
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collaboration with project partners for the successful integration of the coatings into real-scale filtration systems. -Documentation and Data Management: Preparation of technical and scientific reports
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. Contribution to the design, implementation and testing of AiiDA-based exascale workflows that employ SIESTA, thus providing an additional avenue to leverage and saturate exascale performance. (Not all post
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most powerful HPC infrastructures in Japan (FUGAKU,...). Main Tasks and responsibilities: The post holder will become the central person in the collaborative effort described above. Work will involve
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, sparsity, and symmetry. Data pipeline: Curate datasets from DFT calculations (and, where relevant, Wannier/TB extractions); implement preprocessing, splits, and rigorous validation. Metrics and validation