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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
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, or related fields Good English language – spoken and written Nice-to-have: Experience with molecular dynamics simulations (with GROMACS, CHARMM, NAMD, AMBER, LAMMPS, etc.) at the atomistic or coarse-grained
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analysis methods. You will gain expertise in integrating experimental total scattering and high-resolution imaging data with artificial intelligence and atomistic simulation tools to overcome current
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, cytosol). This project will use coarse-grained molecular simulations, complemented by in-house experimental validation, to gain molecular insights in the controlled system assembly and disassembly. Our goal
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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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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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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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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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will be augmented with atomistic structure data from electronic structure theory and STEM image simulations. All data will be combined into an automated workflow that predicts thermodynamically stable