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- Catalan Institute of Nanoscience and Nanotechnology (ICN2)
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Field
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emphasis will be placed on the mechanical behavior and interfacial adhesion of silver layers embedded within ceramic multilayer stacks. The mechanical investigations will be tightly coupled with detailed
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simulations to study ion transport mechanisms, interfacial chemistry, and membrane stability. The researcher will develop structure–property relationships and work closely with experimental partners to validate
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efficient computational methods. A particular focus is on the modeling of interfacial phenomena in process design applications. Our technological focus is on emerging technologies for the energy transition
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eco concrete technology, application of highly and moderately processed waste materials in traditional and 3D printed concrete, strengthening the interfacial transition zone, adjustment of rheological
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molecular dynamics; and enhanced-sampling free-energy methods (e.g., metadynamics and thermodynamic integration) to quantify adsorption and interfacial reaction processes. The research also includes method
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, and 2D magnets (e.g., Fe3GeTe2) to generate and control SOTs. Taking advantage of atomically sharp interfaces, symmetry, and twist angle, we will tailor interfacial spin-orbit coupling and disentangle
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/parameterisation using molecular mechanics methods, and analysis of bulk and interfacial properties; (iv) proficiency in Python programming, particularly for data analysis, workflow automation, and simulation setup
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of interfacial resistance, and the tunability of in-plane conductivity in bilayer TMDs by twist-angle engineering. Beyond fundamental understanding, the project will contribute to new strategies for chip cooling
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will uncover the interfacial solvation structure, validated through comparison between computed and experimental sum-frequency vibrational spectroscopies, as well as the mechanism of chemical
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evaluate interfacial stability. These insights will be key to understanding failure mechanisms and designing more robust, long-lasting battery systems. We especially welcome candidates with experience in