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reactive molecular dynamics (MD) simulations to understand the reaction mechanisms at the atomic scale involved in the combustion of Aluminum and Iron nanoparticles. Aluminum burns in the gas phase while
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disease makes it possible to propose this approach, which could lead to the development of a compound capable of compensating for the defect. • Conduct research in Molecular Dynamics Simulation with a
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disease makes it possible to propose this approach, which could lead to the development of a compound capable of compensating for the defect. • Conduct research in Molecular Dynamics Simulation with a
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. - Perform time-of-flight mass spectrometry (and velocity vector imaging) of cations arising from molecular relaxation induced by interaction with H+, e- particles (stimulating stellar winds). - Identify
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molecular simulations, machine-learning techniques, and statistical mechanics for research opportunities in: Development of data-driven schemes for the discovery of slow degrees of freedom Molecular
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to Simulate Neutron Irradiations) the primary damage in nickel and in FeNiCr alloys of different concentrations, models for austenitic steels, was modeled by molecular dynamics. This work made it possible
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project. - Development of NMR pulse-sequences - Development advanced NMR processing schemes - Programming and Simulation - NMR characterization of large protein complexes - Dynamics studies of large protein
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will be modelled by Density Functional Theory (DFT)-based Ab-initio Molecular Dynamics (AIMD) simulations to confidently predict the properties of the aerogel. The candidate will work at the RAPSODEE