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-to-olefins, syngas-to-olefins) involve the production of hydrocarbons from renewable raw materials. In addition to periodic density functional theory (DFT), ab initio methods and molecular dynamics (MD
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16 Oct 2025 Job Information Organisation/Company Instituto de Tecnología Química Research Field Chemistry » Heterogeneous catalysis Researcher Profile First Stage Researcher (R1) Positions PhD
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experimental approaches, with theoretical activities focusing on: Quantum mechanical calculations using density functional theory. Mean-field modeling and Monte Carlo simulations for reaction kinetics
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focusing on: Quantum mechanical calculations using density functional theory. Mean-field modeling and Monte Carlo simulations for reaction kinetics. Theoretical spectroscopy By combining quantum mechanical
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will build on ongoing work from the group in the design, synthesis and study of functional organic macrocycles and molecular capsules and their use primarily in catalysis, but also molecular recognition
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position is part of PRIME LEAP, a Horizon Europe Marie Skłodowska-Curie Actions Doctoral Network (MSCA-DN) on the next-generation intensified chemical processes integrating plasma and single-atom catalysis
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stacking, both high performance and (very) high density can be achieved by this concept. The mission will be to explore, understand and develop the fundamental physics of device operation. This will require
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Department of Chemistry invites applicants for two PhD fellowships in theoretical catalysis. The projects are rooted in the Theory group which is part of Center for High Entropy Alloy Catalysis
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Are you passionate about mathematical systems and control theory? Are you interested in working with next generation high-tech systems? The main challenge lies in the reliable operation of
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control theory? Are you interested in working with next generation high-tech systems? The main challenge lies in the reliable operation of the entire system, where many interconnected modules affect each