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heat transport at the nanoscale. Couple BTE-based models with information from atomistic simulations DFT of advanced materials and thermal interfaces. Investigate phonon scattering, thermal conductivity
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selectivity and permeability and ultrahigh water permeability combined with high salt rejection. The objective of this work is to construct atomistic models of MOFs/Polymers and Artificial Water-Channel
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the Job related to staff position within a Research Infrastructure? No Offer Description Postdoc in Machine Learned Semiconductor Material Properties for Quantum Transport Simulations The simulation
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-principles and atomistic simulations with machine-learned interatomic potentials to: Model reaction pathways on metal-oxide surface, including adsorption, reactions and diffusion steps. Construct atomistic
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molecular dynamics simulations, applicable to materials science, biomolecules, or a related field. Programming experience (e.g., Python), with a strong background in developing and applying computational
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) with DFT atomistic simulations to investigate the electronic structure and defect states in wide bandgap semiconductor nanomaterials. The goal is to better understand and optimize function
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Postdoctoral Research Associate- AI/ML Accelerated Theory Modeling & Simulation for Microelectronics
and 2D memristive materials). As a Postdoctoral Research Associate, you will contribute to research in these areas, bridging state-of-the-art atomistic and mesoscopic simulation methods as indicated
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broad experience in the development of electronic structure methods and their application in order to perform atomistic simulations of molecules and materials. These include (but are not restricted
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-scale materials simulations Experience developing and applying machine-learning surrogates for atomistic simulations Excellent verbal and written communication skills Strong collaborative skills and the
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atomistic simulations to overcome the limitations of traditional molecular dynamics approaches, which struggle to capture the experimentally relevant size (20–100 nm) and molecular complexity of LNPs. ML