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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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simulations Enhanced sampling Molecular Dynamics simulations Your Profile The ideal applicant has a strong background in bioinformatics or computational chemistry, as well as data analysis and solid
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-based methodologies for protein structure prediction and conformational ensamble • Molecular docking and cofolding • Molecular Dynamics simulations • Enhanced sampling Molecular Dynamics simulations Your
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Leibniz-Institute for Food Systems Biology at the Technical University of Munich | Freising, Bayern | Germany | about 2 months ago
docking and cofolding Molecular Dynamics simulations Enhanced sampling Molecular Dynamics simulations Your Profile The ideal applicant has a strong background in bioinformatics or computational chemistry
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Your Job: Modeling and characterization at molecular level of selected biological processes by performing classical molecular dynamics, and employing enhanced sampling methods and machine learning
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-to-olefins, syngas-to-olefins) involve the production of hydrocarbons from renewable raw materials. In addition to periodic density functional theory (DFT), ab initio methods and molecular dynamics (MD
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collaboration, innovation, and exploration across many disciplines. We provide a dynamic environment which empowers excellence with state-of-the-art technologies, cutting edge infrastructure, and a global
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time-scales: ab initio methods for the description of reaction processes, for the determination of electrochemical stabilities and for the optimisation of force fields; molecular dynamics simulations