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spin-lattice dynamics simulations, a framework that combines atomistic spin dynamics (magnons) with molecular dynamics (phonons), to investigate ways of manipulating spins in various magnetic systems
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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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training in first-principles electronic-structure and excited-state methods (density functional theory and the GW and Bethe-Salpeter-Equation approaches), machine learning for atomistic simulation, and high
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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
, you will perform atomistic and coarse-grained molecular dynamics simulations to investigate asymmetric plasma membranes, protein–lipid interactions, membrane domain formation, and the role of sterols
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and this study will help in doing that. This project has both fundamental and applied aspects. It will involve the use of atomistic Molecular Dynamics simulation to shed light on how and why this third
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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