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properties of phase transitions involving magnetism, elasticity, dielectricity, etc. by applying and developing computational methods such as classical and quantum Monte Carlo simulations, molecular dynamics
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study their structures and dynamics using multi-scale simulations, which include all-atom molecular dynamics (MD) simulations, coarse-grained MD simulations, quantum mechanics/molecular mechanics (QM/MM
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Polymers using a combination of quantum and force field-based simulations that will be further integrated into a force field-based Molecular Dynamics (MD) approaches to assess the permeability and
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this through a cross-disciplinary effort that combines molecular genetics and state-of-the-art microscopy with biophysical modelling and computational simulations. Our group and research Our group studies
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molecular dynamics simulations across multiple resolutions, most likely from the atomistic to the coarse grained level, using a variety of force fields and computational methods. Run large-scale simulations
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. Job Requirements: PhD degree in Civil and Environmental Engineering or related field Relevant research experience on geotechnical engineering Relevant research experience in molecular dynamics
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experience on geotechnical engineering Relevant research experience in molecular dynamics simulations and computational fluid dynamics will be preferred. Excellent proposal writing and report writing skill
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Inria, the French national research institute for the digital sciences | Villers les Nancy, Lorraine | France | about 1 month ago
complexes. The successful candidate will develop novel graph neural network (GNN) architectures to learn dynamic information from molecular dynamics (MD) simulations of protein-protein and protein-nucleic
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, protein and lipid chromatography (FPLC, HPTLC), various spectrophotometers (UV-visible, CD, fluorimeters), and computers for molecular dynamics simulation. The IPMC institute includes various state
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. Our group combines state-of-the-art methods in experimental ultrafast spectroscopy and molecular dynamics simulations: We develop and apply novel ultrafast spectroscopic methods aimed at uncovering how