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of the phenomenon in 1875, several hypotheses have been proposed about the mechanistic origin of hydrogen embrittlement (HE). Atomistic modelling can play a crucial role in verifying, characterizing
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design rules to understand their chemistry and physics. You will combine coarse-grained and atomistic simulations with surrogate models and experimental insights (with Dr. Baumgartner) to understand
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-driven Atomistic Simulation (DAS) group, led by Prof. Miguel Caro at the Department of Chemistry and Materials Science, Aalto University, are jointly hiring a Doctoral Researcher. In this position, you
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of Chemistry and Materials Science, Aalto University, and the Data-driven Atomistic Simulation (DAS) group, led by Prof. Miguel Caro at the Department of Chemistry and Materials Science, Aalto University
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2 PhD Positions in Computational Modelling of Biological Membranes and Adaptive Functional Materials
How do molecular interactions give rise to biological function? How can materials acquire adaptive behaviour and process information? Although these questions arise in different scientific
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organised into bulk structures. Ice, for example, is a regular lattice of water molecules. Self-assembling, hierarchical systems are different. Here molecules combine to form complexes, the complexes form
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mechanisms occurring in these materials and their synthesis over all relevant length scales (e.g., cutting-edge ab initio methods, atomistic simulation methods, multi-scale modelling, machine learning) High