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focused on ultrafast spectroscopy of chiral molecular ions, combining expertise in physics, chemistry, engineering, mass spectrometry, and ultrafast science. The position is offered through a collaboration
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applied. In this respect, quantum chemical methods and molecular dynamics simulations will be utilized. The project is supposed to (1) yield an understanding of nonlinear IR spectra of hydrogenases and the
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atomistic resolution. However, many chemically relevant processes involve rare events and activated transitions that occur on timescales inaccessible to conventional molecular dynamics simulations. Overcoming
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Lukas Stelzl (JGU Mainz) within CRC/SFB 1551, we now want to rebuild active transcriptional condensates from the bottom up - with molecular simulations and C. elegans experiments as direct partners
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. Equilibrating such films by brute-force molecular dynamics is prohibitively slow. Instead, we build them using diffusion models at coarse-grained resolution, formulated so that the model yields not only realistic
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pathways of atmospheric organic reactions. AI-augmented molecular simulations: developing and applying machine-learning force fields and state-of-the-art enhanced sampling to reveal interfacial and
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Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU) | Erlangen, Bayern | Germany | about 1 month ago
strengthen the Department’s profile in one or more of the following areas: Theoretical and computational biophysics, particularly biomembrane research, molecular simulations, multiscale modeling, quantitative
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perception. The project is in close collaboration with the experimental groups in the institute. Key Responsibilities Molecular Dynamics simulations Enhanced sampling Molecular Dynamics simulations AI
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) for Computational RNA Biology The primary goal of SCALE and the FIAS is to create Digital Twins of sub-cellular architecture to map and simulate the internal structure of cells with unprecedented detail. By
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and actively cool LPA targets, with a focus on long-term stable operation In this context, perform complex multi-physics simulations, including heat transport, computational fluid dynamics and molecular