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measure their mechanical, adhesive and frictional properties. By combining these data with classical molecular dynamics simulations and a molecular-scale approach to the thermodynamics of molecular
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combines state-of-the-art computational multiscale modelling (using DFT/TDDFT methods, collision theory, molecular dynamics, stochastic dynamics, Monte Carlo and analytical methods) and its thorough
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/biological systems”, will employ analytical and computational multiscale modelling methods (molecular dynamics, stochastic dynamics, track-structure Monte Carlo simulations) to analyse key radiation damage
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on the Aragona lab can be found at: https://renew.ku.dk/research/aragona-group/ Our group and research The team studies the molecular mechanisms that dictate stem cell identity and govern stem cell fate in
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there are legal requirements, such as a license, certification, and/or registration. Additional Requirements Expertise in ab initio molecular dynamics, density functional theory and high-performance computing
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the innate immune system and lead to chronic infections, which are often antibiotic-resistant and prone to relapse. The project is based on the zebrafish model, which allows for the in vivo observation
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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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: Skills and experience in numerical methods and programming (knowledge of FORTRAN or Python) Knowledge of molecular scattering theory and line shape models Excellent problem-solving and communication skills
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molecular dynamic calculations) will be needed to develop these types of models. Some of the complex material systems of interest are metallic glasses, nanocrystalline metals, hydrogen storage materials
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Sorbonne Université SIS (Sciences, Ingénierie, Santé) | Paris 15, le de France | France | about 2 months ago
dynamics simulations of biomolecules in solution – using models of about 100 000 atoms – that provide a data set to train stochastic low-dimensional models (Langevin equations), based on diffusion on a