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learning force fields (MLFF) for molecular dynamics simulation of systems sizes ranging from ~1000 to 100.000 atoms while preserving the predictive power of first-principles modeling. Moreover
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simulations (i.e., molecular dynamics and/or Monte Carlo methods) or liquid state theory (e.g., classical density functional theory) is highly desirable. Potential topics of research include: Understanding
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project. - Development of NMR pulse-sequences - Development advanced NMR processing schemes - Programming and Simulation - NMR characterization of large protein complexes - Dynamics studies of large protein
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photolysis techniques Experience in elucidating reaction mechanisms from kinetics experiments Experience with classical or ab initio molecular dynamics simulations Experience with ionic liquids or molten salts
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Molecular Medicine (https://icmm.ku.dk/english/ ). The working language in the CCS is English. Our group and research The Blackford group (https://icmm.ku.dk/english/research-groups/blackford-group/ ) aims
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applying theory and simulation methods to investigate the ultrafast quantum dynamics in atoms, molecules and solids. We pursue an interdisciplinary research program that combines advanced theoretical
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is close. Our cohesive campuses make it easy to meet, work together and exchange knowledge, which promotes a dynamic and open culture. The ongoing societal transformation and large green investments in
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higher ionic conductivity [3]. Description of the work: To carry out the classical and ab-initio molecular dynamics simulation of metallic and other liquids and glasses to determine the origin of atomic
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computational and/or experimental structural biology involving protein design, molecular dynamics simulation, single particle cryo-electron microscopy, x-ray crystallography, or single-molecule FRET
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the Photon Harvesting in Plants and Biomolecules group led by Prof. Dr. Nicoletta Liguori. Our group combines state-of-the-art methods in experimental ultrafast spectroscopy and molecular dynamics simulations