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Field
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nanoparticles, cell survival and radioresistance. The MS-RADAM research programme combines state-of-the-artc omputational multiscale modelling (using DFT/TDDFT methods, collision theory, molecular dynamics
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methods and workflows for chemical problems and experience using simulation software Demonstrated experience with various computational chemistry techniques: DFT-, force-field- and/or molecular-dynamics
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an autonomous framework for setting up, executing, and optimizing complex electronic structure workflows, ranging from ground-state Density Functional Theory (DFT) to many-body perturbation theory methods such as
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heat transport at the nanoscale. Couple BTE-based models with information from atomistic simulations DFT of advanced materials and thermal interfaces. Investigate phonon scattering, thermal conductivity
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catalysts relevant to sustainable energy technologies. The research makes extensive use of the LUMI supercomputer, enabling large-scale simulations of complex electrochemical reactions under realistic
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magnesiothermic reduction. High performance computing (HPC) such as density functional theory (DFT) and grand canonical Monte Carlo (GCMC) simulations calculations will be performed at National Energy Technology
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simulations, including AI-based methods. The project associated with this position aims to take advantage of a virtual library of more than 1 million organometallic bifunctional catalysts, optimised
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physics scale with the component-level scale to simulate the thermomechanical response of the full first wall/blanket structures during fusion reactor operation. Villanova is a Catholic university sponsored
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to materials science, and formulate research hypotheses that can be benchmarked through physical experiments or computational simulations. The project is funded by the Research Council of Norway and is a
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are seeking a highly motivated candidate to contribute to the development of new catalytic systems through computational simulations and theoretical studies. Main Responsibilities: Perform computational