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prediction algorithm and molecular dynamics simulations. For more details, please view https://www.huilingshaogroup.com/. We are looking for a Postdoctoral Research Fellow to design and execute independent and
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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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/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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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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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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of configurations generated in silico as well as their thermodynamic, dynamic (phonon), and mechanical properties, and performing DFT/MLIP NpT and NVT molecular dynamics simulations. - Analyzing and exploiting
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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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the dynamics of immune responses to Salmonella Typhimurium and Pseudomonas aeruginosa in order to identify the mechanisms of bacterial persistence. - main mission: The main objective is to investigate, in a
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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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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