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molecular dynamics simulations across multiple resolutions, most likely from the atomistic to the coarse grained level, using a variety of force fields and computational methods. Run large-scale simulations
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. Job Requirements: PhD degree in Civil and Environmental Engineering or related field Relevant research experience on geotechnical engineering Relevant research experience in molecular dynamics
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experience on geotechnical engineering Relevant research experience in molecular dynamics simulations and computational fluid dynamics will be preferred. Excellent proposal writing and report writing skill
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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 | 23 days 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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principles molecular dynamics simulations. You will contribute to the development of novel work flows as well as to the training, testing and application of latest neural network methodologies. Applications
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, reaction kinetics and dynamics, and theory/simulation of ultrafast time-resolved experiments. will be a part of the Physical Chemistry section at DTU Chemistry (https://www.kemi.dtu.dk/english/research
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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