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Field
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excited states. Further, we use and develop classical and quantum dynamical methods to explain molecular photochemical process, also in complex environments. Your personal sphere of play: A university
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at the atomic scale, using density functional theory-accurate machine-learned potentials and molecular dynamics simulations, in close collaboration with leading European research institutes and steel industry
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, for the major lower-mantle solid solutions (bridgmanite, post-perovskite, ferropericlase, and davemaoite). The work involves large-scale molecular dynamics simulations to calculate non-ideal mixing properties and
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electronic excited states. Further, we use and develop classical and quantum dynamical methods to explain molecular photochemical process, also in complex environments. Your personal sphere of play: A
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, ideally molecular dynamics and/or DFT. Scientific programming skills, particularly in Python, are expected. Familiarity with machine learning or generative AI methods applied to materials would be a strong
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(MLIP). These datasets will include defect energetics, helium–defect interactions, binding energies, and clustering mechanisms. The researcher will support large-scale molecular dynamics simulations by
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semiconductors, including conjugated polymers. • Perform molecular dynamics simulations to investigate structural organization and molecular connectivity. • Carry out electronic-structure calculations
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PIs on newsworthy topics, and delivering copy and visuals. You will work with the Communications team at HQ to determine news angles. The distribution of press releases and the maintenance
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Jerzy Haber Institute of Catalysis and Surface Chemistry, Polish Academy of Sciences | Poland | about 1 month ago
techniques Chemistry » Molecular chemistry Chemistry » Organic chemistry Chemistry » Other Chemistry » Physical chemistry Chemistry » Reaction mechanisms and dynamics Chemistry » Structural chemistry
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position in a professional, dynamically developing team, recognizable in its research field possibility of conference trips cooperation with the best molecular spectroscopy teams no teaching duties Salary