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, the primary unit of chromatin, using classical all-atom molecular dynamics simulations. The nucleosome is composed of a double-stranded DNA fragment wrapped around a protein core consisting of eight histones
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with surface science. Experience with molecular dynamics simulations and at least basic knowledge of machine-learning approaches for atomistic modeling are highly desirable. Skills in Python and
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optimization code used, particularly for automated transition state searches. • Perform molecular dynamics simulations to estimate thermodynamic/macroscopic properties. IPREM brings together over 300 staff
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performing atomistic simulations with Density Functional Theory and Molecular Dynamics. Data analysis and coarse graining in order to provide parametrisations for upper scale models (Kinetic Monte Carlo and
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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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, 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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organic molecules in astrophysical environments—from cold interstellar ices to the early stages of planetary systems. The successful candidate will contribute to experimental studies simulating interstellar
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deformation behaviors. This will be supported by numerical simulations developed by the LEM where nanoindentation simulations at the atomic scale will be performed by Molecular Dynamic (MD) as well as finite
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performing DFT/MLIP molecular dynamics simulations; - Analyzing and exploiting results, as well as writing activity reports and scientific publications and presenting results at conferences and working groups