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numerical work. Skills in molecular dynamics simulation are welcome, and in English is required. Additional Information Work Location(s) Number of offers available1Company/InstituteINSA de Lyon, Laboratoire
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during sintering (temperature and current fields, resulting stresses, etc.). These fields will then be used as input conditions for Molecular Dynamics simulations in order to observe in situ atomic‑scale
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computational predictions with experimental validation. At the computational stage, the candidate will establish molecular docking and molecular dynamics simulation workflows to predict receptor–ligand
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and other complex fluids using molecular simulations. In order to make these simulations more computationally feasible, development of coarse-grained models and new Monte Carlo or molecular dynamics
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University of North Carolina at Chapel Hill | Chapel Hill, North Carolina | United States | 2 days ago
analyzing molecular dynamics (MD) simulations to understand water and solute transport through highly crosslinked polyamide systems. The postdoctoral researcher will study polymer chemistry, crosslinking
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on simulating nanoalloy structures to create a database for materials characterization. The main tasks include running molecular dynamics and Monte Carlo simulations to model nanoalloys under various
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fundamental questions in statistical physics. The work is primarily numerical, and we seek candidates with experience in particle-based simulations (e.g., molecular dynamics) and a strong interest in large
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, Rouiller I (AUS), Jonic S (FR). MDSPACE: Extracting Continuous Conformational Landscapes from Cryo-EM Single Particle Datasets Using 3D-to-2D Flexible Fitting based on Molecular Dynamics Simulation. J Mol
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endanger the performance and lifetime of these reactors. We will develop a predictive multi-scale modeling framework to understand and mitigate this damage. At the atomic scale, molecular dynamics
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involve a combination of numerical simulations and theoretical modeling, with the broader aim of bridging the gap between microscopic particle interactions and emergent large-scale dynamics