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DTSTART;TZID=Europe/Brussels:20251016T130000
DTEND;TZID=Europe/Brussels:20251016T140000
DTSTAMP:20260410T144328
CREATED:20250909T084321Z
LAST-MODIFIED:20251016T135220Z
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SUMMARY:Alessandro Moirano (LPAP\, ULiège)
DESCRIPTION:Title: Io\, a natural probe for Jupiter’s atmosphere and magnetosphere – (Some of) Juno’s results on the moon-magnetosphere interaction. \nAbstract: \n\n\n\n\n\nJupiter hosts persistent and bright auroras\, which are driven by the precipitation of particles into its atmosphere\, mostly electrons. The presence of Io orbiting in the inner Jovian magnetosphere produce a specific auroral emission on Jupiter\, called “footprint”\, whose details are determined by the atmosphere and the energy of the precipitating electrons. The latter\, in turn\, depends on the physical  magnetospheric process(es) that accelerates the particles along the magnetic field and towards the planet. Therefore\, the footprint – and the aurora in general – wraps information about the atmospheric structure and the energy spectrum of the precipitation. During this talk\, we will discuss the recent analyses of the observations performed by Juno\, which has been orbiting Jupiter and providing an unprecedented vantage point on its polar regions since 2016.  To begin with\, the position of the Io footprint is affected by the Io plasma torus\, a dense and variable plasma cloud around Io’s orbit that is ultimately produced by the volcanic activity on the moon. We were able to constrain the spatial distribution of plasma near Io thanks to several years of observations with Juno. Moreover\, during some of the closest-approach to Jupiter\, Juno was able to observe the Io footprint near the planetary limb\, which provided a unique opportunity to investigate the relation between the spectrum of the precipitating electrons and the vertical profile of the auroral emission. Lastly\, by looking at the absorption in the far-ultraviolet recorded with the Ultraviolet Spectrograph onboard Juno\, we aim at estimating the hydrocarbon abundances in the upper layers of Jupiter’s atmosphere. \n\n\nThe seminar mostly presents results driven by observations\, interpreted in light of current theoretical models. Infrared\, ultraviolet and radio observations\, as well as in-situ particle measurements\, are the backbone of the talk\, although the moon-magnetosphere interaction welcome all types of expertise and observations. \n\nThis seminar will take place in Room S08 at the Faculty of Sciences.
URL:https://www.naxys.be/event/alessandro-moirano-uliege/
CATEGORIES:NAXYS Seminar
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DTSTART;TZID=Europe/Brussels:20251021T130000
DTEND;TZID=Europe/Brussels:20251021T140000
DTSTAMP:20260410T144328
CREATED:20250923T065604Z
LAST-MODIFIED:20250924T152429Z
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SUMMARY:Isao Ishikawa (Kyoto University)
DESCRIPTION:Title: Finite dimensional approximations of push-forwards on analytic functionals \nAbstract: \nIn this talk\, we will introduce JetEDMD\, a new theoretical framework as a finite-dimensional approximation of the push-forward on the spaces of analytic functionals.\nJetEDMD provides a reasonable modification of Extended Dynamic Mode Decomposition (EDMD) and elucidates new mathematical machinery by combining the structure of reproducing kernel Hilbert spaces with the jet spaces on the state space of the dynamical system.\n\nAs applications\, I will present methods for the data-driven estimation of equilibrium points and the reconstruction of vector fields from discrete trajectory data with a rigorous convergence result. Finally\, I will discuss some current mathematical challenges and future research directions within this framework.
URL:https://www.naxys.be/event/isao-ishikawa-kyoto-university/
CATEGORIES:NAXYS Seminar
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DTSTART;TZID=Europe/Brussels:20251022T150000
DTEND;TZID=Europe/Brussels:20251022T163000
DTSTAMP:20260410T144328
CREATED:20251016T135626Z
LAST-MODIFIED:20251016T140440Z
UID:2585-1761145200-1761150600@www.naxys.be
SUMMARY:Laura Gagliardi (University of Chicago)
DESCRIPTION:Title: Reticular frameworks after the Nobel prize: their application for catalysis and CO2 capture \nAbstract: \n\n\n\n\n\nFollowing reflection on the 2025 Nobel Prize in Chemistry awarded for advances in metal– organic frameworks (MOFs)\, this lecture explores how state-of-the-art quantum chemical and classical simulations are driving the discovery of reticular materials. Computation today is not only a tool to rationalize experiments\, but increasingly a predictive engine for tailoring functional frameworks. \nIn the first part of the presentation\, I will highlight our integrated computational and experimental study of catalytic MOFs\, where post-synthetic modification introduced metal– sulfur active sites [1]. Quantum chemical calculations elucidated how sulfur incorporation modulates the electronic structure and catalytic reactivity of the frameworks. These insights provided a mechanistic understanding of hydrogenation catalysis and guided the design of MOFs with tunable properties. \nThe second part will focus on covalent organic frameworks (COFs). Thanks to their modular architectures and tunable functionalities\, COFs offer a highly versatile platform for CO2 direct air capture. We performed a multiscale investigation of COF-999 and its amine- functionalized precursor COF-999-NH₂\, integrating density functional theory\, molecular dynamics\, and grand canonical Monte Carlo simulations with experimental validation [2]. Our findings highlight subtle energy differences in laterally shifted stackings\, intrinsic stacking heterogeneity\, and pronounced layer buckling. We found that extensive amine– nitrile hydrogen bonding and persistent pore water lead to undesired polymerization that undermines CO₂ uptake. The predicted presence of water is confirmed by subsequent experiments. These insights point to a single\, actionable design rule: exclude retained water by introducing hydrophobic pore environments to maximize CO2 capture efficiency. \n[1] H. Xie\, M. A. Khoshooei\, M. Mandal\, S. M. Vornholt\, J. Hofmann\, L. M. Tufaro\, K. O. Kirlikovali\, D. A. Grimes\, S. Lee\, S. Su\, S. Reischauer\, D. Sengupta\, K. Fahy\, K. Ma\, X. Wang\, F. Sha\, W. Gong\, Y. Che\, J. G. Vitillo\, J. S. Anderson\, J. M. Notestein\, K. W. Chapman\, L. Gagliardi\, and O. K. Farha\, Introducing Metal–Sulfur Active Sites in Metal–Organic Frameworks Via Post-Synthetic Modification for Hydrogenation Catalysis\, Nature Chemistry\, 2025. DOI: 10.1038/s41557-025-01876-y \n[2] H. Daglar\, Z. Zhou\, R. Zhu\, P. Parihar\, J. I. Siepmann\, O. M. Yaghi\, L. Gagliardi Discovery of Stacking Heterogeneity\, Layer Buckling\, and Residual Water in COF-999-NH₂ and Implications on CO2 Capture Submitted (2025) \n\nThis seminar will take place in Room S05 at the Faculty of Sciences.
URL:https://www.naxys.be/event/laura-gagliardi-university-of-chicago/
CATEGORIES:NAXYS Seminar
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