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, HEP-Phenomenology (hep-ph) , hep-th , HEP-Theory (hep-th) , High energy density matter , High Energy Physics , High Energy Theory Group , High Performance Computing , HP-Theory , Machine Learning
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). On the other hand, fuel cells have been more popular in recent years, especially in transportation applications due to their high energy density and capability to operate in a wide temperature range. To have
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and development activities in the fields of atomistic simulations, including density functional theory, machine learning, and molecular dynamics. The work involves theoretical and experimental research
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scheme. Eligibility criteria Qualification criteria: - Scientific achievements in the field of density functional theory research on hard magnetic materials and thin films; - Knowledge of theoretical
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methods will be periodic semi-empirical methods and density functional theory. These models will then be used to investigate the insertion mechanism of lithium ions and to understand the nature
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. Anharmonic spectra for PAHs can be calculated using 2nd order Vibrational Perturbation Theory on Density Functional Theory derived Quartic Force Fields but are computationally very expensive when considering
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on plausible solid-electrolyte interphase structures on the extreme surface. The applied computational methods will be periodic semi-empirical methods and density functional theory. The person recruited would
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properties of Li-rich three-dimensional materials for lithium battery cathodes using density functional theory (DFT), molecular dynamics, cluster expansion, machine learning computational techniques. This work
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density functional theory, and atomic-scale simulations to investigate the decomposition of polymers using zeolite catalysts. The successful candidate will employ a combination of density functional theory
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or condensed matter physics, with a focus in materials modelling using density functional theory. The research projects of the postdoctoral research fellow are thematically linked to the The Finnish Quantum