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Field
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knowledge of molecular biology. Project Background: Oral tissues constantly experience mechanical forces from mastication, orthodontic treatment, and disease. The junctional epithelium forms a critical
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… Requirements Specific Requirements A master’s degree (or an equivalent university degree) in Molecular (Life) Sciences, Bionanotechnology, Molecular Biophysics, Molecular Biology, Biomedical Technology, or
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simulations. Two complementary strategies will be employed: structure-based virtual screening (docking simulations + molecular dynamics) and ligand-based virtual screening (machine learning models). We have
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. Approaches researched: molecular dynamics, quantum simulations, machine learning/AI, and high-throughput computing. Required: Mgr./MSc. in chemistry, physics, computer science, or a related field If you are
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chemistry such as molecular dynamics, density-functional theory and multi-scale modelling. You will work under the supervision of Dr Xiuwen Zhou and Dr Joshua Carroll in the School of Chemistry and Physics
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polymers are macromolecules with one key distinguishing feature: they have no ends. This seemingly trivial fact has significant consequences for molecular conformation, dynamics and material properties
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these insights with larger-scale soil and plant models. Perform molecular dynamics simulations to investigate interactions between soil organic matter (SOM), extracellular polymeric substances (EPS), water, and
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physical parameters, namely the anisotropies and the diffusion coefficients, will be obtained from molecular dynamics calculations in collaboration with Science et Ingénierie, Matériaux, Procédés (SIMAP
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Tasks and responsibilities: The PhD position is framed within the MAIAMI project. The student will work on DFT and molecular dynamics simulations, generating structural and electronic descriptors
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through molecular dynamics, simulations, and benchmarks Active Learning in Configurational and Chemical Spaces Integrate uncertainty-aware MLFFs into active learning frameworks Explore automated dataset