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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
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deformation behaviors. This will be supported by numerical simulations developed by the LEM where nanoindentation simulations at the atomic scale will be performed by Molecular Dynamic (MD) as well as finite