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7 Sep 2025 Job Information Organisation/Company CNRS Department Conditions Extrêmes et Matériaux : Haute température et Irradiation Research Field Chemistry Physics Technology Researcher Profile Recognised Researcher (R2) Country France Application Deadline 27 Sep 2025 - 23:59 (UTC) Type of...
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group (https://theochem.univie.ac.at/ ) at the Institute of Theoretical Chemistry aims at understanding chemical phenomena using contemporary computational and theoretical methods. We employ and extend ab
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of single dye molecules or their aggregates using ab-initio methods. This will involve describing the molecule’s vibronic structure and engineering its emission properties, e.g., by controlling the molecule’s
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particular emphasis on kinetic Monte Carlo approaches, and in software development, including version control (Git or similar). Experience in ab initio methods and specifically calculations of excited
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dynamics or ab initio methods). You have demonstrated the ability to think across scales, from the molecular level up to the field scale. We are seeking a candidate with a strong interest in geochemistry and
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approaches Develop models to address the dynamics of electrons, excitons, and photons in atomic-scale optical environments (e.g., quantum master equation, Lindblad formalism) Integrate results of ab-initio
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exciting research avenues. For more information about the group's research and philosophy head over to www.d2r2group.com Qualifications Strong background in ab-initio calculations of materials (density
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formation of polyhalogens. The applied methods will include first principles methods like DFT, both for finite and periodic systems, ab initio molecular dynamics simulations and calculations of various
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-film solar cells. LightTrap covers the entire discovery chain, from ab initio calculations and photonic simulations to materials synthesis and nanostructuring, all guided by advanced AI algorithms
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- The candidate must hold a PhD in theoretical chemistry or physics. - expertise in quantum chemistry and ab initio molecular dynamics, quantum dynamics if possible - be able to program and script in a language of