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) Atomistic classical simulations of macromolecules (v) Biophysics. You can write computer codes to solve some of the daily research problems and have experience with high performance computing. You should have
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focusing on: Quantum mechanical calculations using density functional theory. Mean-field modeling and Monte Carlo simulations for reaction kinetics. Theoretical spectroscopy By combining quantum mechanical
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the two leaflets. However, most studies to date have focused on symmetric bilayers. This project addresses this gap by integrating molecular dynamics simulations with experimental techniques such as solid
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of corrosion at the interface between metals (e.g., Ni) and molten salts (FLiNaK). These systems are gaining interest for their potential in molten salt nuclear reactors. You will combine atomistic simulations
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degree . In your EOI, copy the link to this scholarship website into Question 2 of the Financial details section. About the scholarship The candidate will be supervised by Prof Cheng Yan and an expert team
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challenging, and new theoretical methods and algorithms are required. The research project aims at deriving priors for Bayesian methods from atomistic simulations and machine learning. It also offers
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for the new green steels compositions, including impurities and tramp elements. These models should enable density-functional-theory (DFT) accurate large scale atomistic simulations of defects including
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density-functional-theory (DFT) accurate large scale atomistic simulations of defects including dislocations, grain boundaries and precipitates, as well as phase diagrams exploration. A key challenge faced
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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
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inviting applications for a PhD Student (f/m/x) in the field of Theory and Methods for Non-equilibrium Theory and Atomistic Simulations of Complex Biomolecules Possible projects are variational free energy