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for reaction network search/mapping (e.g., via OPTIM package https://www-wales.ch.cam.ac.uk/OPTIM/ ) - development and deployment of ML-based collective variables (e.g., using autoencoder joined with message
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, optimization and use of class-specific, reactive ML interatomic forcefields, combined with spectral characterization (NMR, FTIR, quasi-elastic neutron scattering) and reactive modelling on realistic systems, in
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Programme? Other EU programme Is the Job related to staff position within a Research Infrastructure? No Offer Description The aim of the dissertation project will be the design, development and optimization
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optimization, and computational social choice to address critical problems, including: Voting systems: Investigate the Margin of Victory, winner robustness, and resilience against attacks in electoral processes
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cause undesired precipitation and consequent loss of a valuable sample. Because experimental optimization of process conditions is expensive and time-consuming, predicting these interactions from
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, in-situ electron microscopy techniques; optimizing the synthesis procedure to achieve better stability of prepared catalysts; and catalytic tests of prepared materials and investigation of metal
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size and distribution for optimal catalytic performance while replacing expensive noble metals with cost-effective transition metals such as Ni, Cu, and Zn. This approach seeks to enhance catalytic
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implement advanced pulse sequences into an existing quantum confocal microscope, conduct measurements, and analyze the results. Furthermore, they will optimize the sensitivity of the nanosensors through
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-driven (surrogate model) unbiased global structure optimization, in combination with ML-enhanced atomistic dynamical simulations, for development of model systems. Discrete path sampling techniques
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(coordinate measurement, determination of errors and uncertainties). Additive manufacturing of metals, polymers and composite materials (topological optimization, designs of bionic structures and lattice