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to reduce the cost of clean hydrogen to $1/kg by 2031. The project proposes to address key scientific challenges by using molecular simulations (reactive force fields like ReaxFF and machine learning
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at the molecular scale. Grand Canonical Monte Carlo (GCMC) simulations will be performed to predict adsorption isotherms and selectivities. Molecular dynamics simulations will be used to investigate diffusion
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The University of North Carolina at Chapel Hill | Chapel Hill, North Carolina | United States | 11 days ago
://www.med.unc.edu/pharm/directory/yinglong-miao/) is looking for two highly motivated Postdoctoral fellows to work on accelerated molecular simulations and AI-driven drug discovery. Research projects in the Miao Lab
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Cryo-EM Single Particle Datasets Using 3D-to-2D Flexible Fitting based on Molecular Dynamics Simulation. J Mol Biol. 2023;435:167951. https://hal.science/hal-03929029 [3] Valimehr S, Vuillemot R, Kazemi
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nm) and over long timescales (10-100ps). To meet these objectives this project aims to further develop our recently introduced non-adiabatic molecular dynamics simulation method, termed excitonic state
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Your Job: Healthy brain function relies on dynamic changes at the synapse. The relevant synaptic turnover and plasticity processes span spatial scales from the molecular up to the network level, and
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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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systems, biomolecular interfaces, and catalytic processes. The project will use molecular dynamics simulations to understand molecular mechanisms of metal-based antimicrobial systems and biomolecular
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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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University of North Carolina at Chapel Hill | Chapel Hill, North Carolina | United States | about 13 hours 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