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for the simulation of non-adiabatic exciton transfer dynamics in light-harvesting complexes. The research will use a combination of quantum and molecular dynamics simulations, electronic structure calculations, and
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-harvesting complexes. The research will use a combination of quantum and molecular dynamics simulations, electronic structure calculations, and machine learning approaches. These are similar to earlier work
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materials science with experience in Density Functional Theory (DFT) and/or molecular dynamics simulations Background in Programming skill using such as Python, MATLAB, or C++, and familiarity with Linux/Unix
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to electron transport theory, machine learning, and molecular dynamics simulations, providing opportunities for students to acquire a broad range of skills. The close interaction with the experimental group
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macromolecular dynamics with statistical mechanics, molecular simulation at different resolutions, machine learning, and experimental data. Our group works on the definition and implementation of strategies
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Your Job: The overarching goal is to implement a code for multiscale quantum mechanics / molecular mechanics (QM/MM) molecular dynamics simulations using a Quantum Centric Supercomputing (QSC
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-probe photoelectron spectroscopy to identify candidates for excitonic insulators •Doping of the above materials by adsorption of molecular donors and/or acceptors to tune correlation and dynamic response
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The Hamburg Centre for Ultrafast Imaging (CUI), Cluster of Excellence | Hamburg, Hamburg | Germany | 21 days ago
in a relevant field. You are experienced in the theory of light-matter interactions. In addition, you have expertise in machine learning, or in electronic-structure theory, or in molecular-dynamics
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mechanics (QM / MM) molecular dynamics simulations using a Quantum Centric Supercomputing (QSC) approach [1,2] for the QM problem. This will be integrated within the in-house MiMiC framework [3] and applied
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8 Sep 2025 Job Information Organisation/Company Heidelberg University Department Institute for Molecular Systems Engineering and Advanced Materials Research Field Physics » Condensed matter