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), uncertainty quantification, and atomistic simulations within the FNR-funded UMLFF project. MLFFs have transformed atomistic simulations, offering quantum-chemical accuracy for large systems. However, they
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developing next-generation technologies. In this PhD project, you will employ atomistic spin-lattice dynamics simulations, a framework that combines atomistic spin dynamics with molecular dynamics
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discipline Apply: https://mgician.eu/research/doctoral-candidate-projects/dc3/ DC4: Atomistic Modelling and Design of Thermoelectric Materials and Interfaces Host: King’s College London (KCL), London
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experience in atomistic simulations and catalysis is an advantage. Our offer We offer a stimulating, multidisciplinary research environment within the ETH Domain, where communication and interaction to create
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mechanisms occurring in these materials and their synthesis over all relevant length scales (e.g., cutting-edge ab initio methods, atomistic simulation methods, multi-scale modelling, machine learning) High
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atomic-resolution TEM. Linking 3D atomic structure, dynamics, and catalytic function of individual nanoparticles. Identifying and stabilizing uniquely active nanoparticles to uncover atomistic mechanisms
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atomic-resolution TEM. Linking 3D atomic structure, dynamics, and catalytic function of individual nanoparticles. Identifying and stabilizing uniquely active nanoparticles to uncover atomistic mechanisms
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for Machine Learning, and the Atomistic Modelling Centre. Our group values a respectful, inclusive work culture that supports teamwork, open communication, and work-life balance. You will receive close
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and drug–excipient interactions that determine formulation stability and performance. The research will employ atomistic molecular modeling grounded in statistical mechanics to investigate binding
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combining: Molecular synthesis Electrical contacting of nanoscale electronics Modelling of properties on an atomistic level The IHRS NanoNet offers an international scientific environment and an excellent