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, chronoamperometry and impedance spectroscopy. Biophysical characterization of enzyme proteins, use of CD, IR, NMR, etc Experience in computational modelling of biointerfaces using advanced molecular dynamic
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a Research Infrastructure? No Offer Description Join us to pioneer next-generation generative models that accelerate molecular dynamics. We seek a postdoctoral researcher to develop AI surrogates
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internal and external interactions of an organism, i.e. of its dynamics. Yeasts demonstrate a similar variability in resistance in response to oxidative stress, which makes them an ideal model object
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assessment of CCUS value chains Reactor design, optimization, and sizing using phenomenological and/or CFD methods DFT and Molecular modelling linked to CCUS Strong analytical and problem-solving skills, with
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structural models and compute electronic and vibrational properties. Develop and train neural-network or other machine-learned interatomic potentials to enable large-scale molecular dynamics (MD) simulations
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build using molecular dynamics, the MACE foundation models and density functional theory. Main Tasks and responsibilities: AI4LSQUANT aims to accelerate quantum modelling by learning fast, accurate
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, developing molecular models of electrolytes based on polymers, LiFSI salt, and ionic liquids, in contact with active material surfaces. Simulations will be carried out in confined geometries representative
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based on salt melts. The methods are primarily molecular dynamics simulations and small DFT calculations, but the software COSMO-RS may also be used. The postdoctoral fellow will be part of Prof. Patrik
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computing algorithm to implement the modelling of inelastic molecular collisions on present-day quantum computing hardware (e.g., IBM-Q, IonQ) within a framework of mixed quantum/classical theory
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modelling of biointerfaces using advanced molecular dynamic approaches This is a full time (35 hours per week) and you will be offered a fixed term contract until 28/02/2026. Research staff at King’s