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Goethe University Frankfurt am Main invites applications for two positions of Professor (W2 or W3) in cellular biochemistry and Professor (W2 or W3) in molecular biochemistry as part of the SCALE
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apply ultra-fast machine-learning interatomic potentials (UFPs, Xie et al., npj Comput. Mater., 2023, 10.1038/s41524-023-01092-7 ) for long, multi-million-atom molecular dynamics (MD) simulations
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atomistic simulation methods, such as molecular dynamics, density functional theory, and machine-learning force fields, to elucidate the deformation mechanisms activated by external stimuli. The candidate
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, protein and lipid chromatography (FPLC, HPTLC), various spectrophotometers (UV-visible, CD, fluorimeters), and computers for molecular dynamics simulation. The IPMC institute includes various state
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Inria, the French national research institute for the digital sciences | Villers les Nancy, Lorraine | France | about 1 month ago
complexes. The successful candidate will develop novel graph neural network (GNN) architectures to learn dynamic information from molecular dynamics (MD) simulations of protein-protein and protein-nucleic
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(Machine Learning Force Fields, ML-FF) to simulate gas-phase fragmentation processes via molecular dynamics. Design and maintain a project-focused results database (schema, metadata, upload/retrieval scripts
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. Our group combines state-of-the-art methods in experimental ultrafast spectroscopy and molecular dynamics simulations: We develop and apply novel ultrafast spectroscopic methods aimed at uncovering how
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atomistic simulations to overcome the limitations of traditional molecular dynamics approaches, which struggle to capture the experimentally relevant size (20–100 nm) and molecular complexity of LNPs. ML
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property prediction, modern artificial intelligence methods, molecular dynamics, and interdisciplinary research, this is your chance to be part of an exciting journey at the forefront of science and
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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