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The China Association for International Exchange of Personnel organized the 2nd International Sustainable Development and Innovation Forum in Nanchang City, Jiangxi Province, China. The forum featured keynote talks from national and international speakers, roundtable discussions, and field visits in Nanchang.
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PhD student Jonas E. S. Mikkelsen will be working on the decomposition of molecular polarizability into atomic charge flow and induced dipole contributions.
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Mahika, Abril, David, and Ainara published this work in ACS Organic & Inorganic Au, with collaborator Kim Daasbjerg from the University of Århus.
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Hannes Kneiding and David Balcells have published a perspective in Chemical Science on the combination of evolutionary and deep learning methods for the inverse design of molecules
New paper from researcher Henrique M. Cezar in collaboration with researchers from the University of São Paulo.
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Dr. in Mauricio Portiolli Franco is on a one year research visit at Hylleraas Centre. He will work on electrochemical reduction of CO2 using organometallic catalysts together with Ainara Nova.
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New publication in the Journal of Catalysis by Ning Cao, PhD student at the Hylleraas Centre.
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Thomas Bondo Pedersen gave an invited lecture at the International Conference on Electron Capture in an Environment - real experiments and models, in Tübingen, Germany.
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Hannes gave a talk on genetic algorithms at the “Artificial Intelligence in Chemistry” Symposium held by the Royal Society of Chemistry at the University of Cambridge.
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Ainara Nova gave an oral presentation at the Nordic Organometallic Meeting organized by the University of Helsinki, in Finland.
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New presentation by Hylleraas-members at the EuChemS Chemistry Congress, a biannual chemistry conference, bringing together chemists from academia, industry, and research institutions across Europe.
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Master student Klaus Peter Schleich will have a three-month stay at Hylleraas UiT. He will be supervised by Luca Frediani on computational chemistry and programming.
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Work performed by Juliane Heitkämper, a Hylleraas visitor, under the supervision of Ainara Nova (RT5), has been published in ACS Catalysis with the title "Directed Palladium-Catalyzed γ-C(sp3)–H Alkenylation of (Aza and Oxa) Cyclohexanamines with Bromoalkenes: Bromide Precipitation as an Alternative to Silver Scavenging."
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Work by Aurore, Ainara, and David published in the ACS Catalysis journal.
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Work performed by Gabriel Martins Ferreira Batista, a Hylleraas visitor, under the supervision of Ainara Nova (RT5). Solvent–base mismatch enabled the deconstruction of epoxy polymers and bisphenol.
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Second meeting of Young CAS held at the Hylleraas Centre with the title “Can ice be described from first principles?”
Oral presentation by PhD student Ning Cao in the 19th edition of the International Conference on Theoretical Aspects of Catalysis (ICTAC) in Seville, Spain.
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Ainara co-organized the Symposium "Computational Approaches at the Atomic Scale of Catalysis – Unifying Concepts to Tackle Dynamics in Computational Catalysis".
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David gave an invited talk on the activities done at the Centre in the field of generative AI methods for transition metal compounds
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The collaboration is focused on two key objectives: streamlining user interactions for modeling purposes and facilitating the implementation of complex computational protocols.
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This year's meeting was hosted by the Oslo node. It was held at Sanner Hotel in Hadeland and organised by the Young Researchers Parliament (YRP) representatives at UiO.
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A new series of meetings: the Scandinavian Community for Quantum Chemistry (SCQC), was kicked off at the University of Southern Denmark in Odense. The meeting brought together about 50 quantum chemists from Scandinavia and Finland and four Hylleraas members gave presentations.
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Alejandra Pita Milleiro is a PhD-student visiting for three months the Hylleraas Centre in Oslo. She comes from The Institute for Chemical Research (IIQ) CSIC - University of Sevilla, Spain. Alejandra will be collaborating with David Balcells during her visit.
In a new paper published in The Journal of Chemical Physics, Hylleraas members present a highly adaptive computational method for solving the time-dependent Schrödinger equation of a hydrogenic electron exposed to strong laser fields.
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Special attention was paid to the major computational and theoretical challenges associated with laser-induced ionization processes and high-harmonic generation.