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Hylleraas members Oliver Bohle, Mihaly Csirik, Trygve Helgaker, Simen Kvaal, Thomas Bondo Pedersen, Simon Elias Schrader and Erik Tellgren presented their recent work at the at the workshop “Extensions and Foundations of Density-Functional Theory” at Oslo Metropolitan University.
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A novel method to integrate the time-dependent Schrödinger equation within the framework of multiresolution analysis is presented.
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David gave an invited lecture on the synergies between evolutionary and deep learning approaches to transition metal chemistry.
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Doctoral candidate Marinella de Giovanetti at the UiO, Department of Chemistry, defended her thesis "The multifaceted nature of lithium derivatives, and its implications for Grignard chemistry - A computational study from first-principles to machine learning" for the degree of Philosophiae Doctor.
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New paper by Henrique Musseli Cezar, Victoria Ariel Bjørnestad, Sylvain Prévost, Reidar Lund and Michele Cascella published in Small Structures. In this paper, we show how to combine SAXS and SANS experiments with Metainference molecular dynamics simulations.
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Miguel Ángel Gaona Fernández, who holds a PhD in Inorganic Chemistry from the University of Seville, is joining the Hylleraas Centre at UiO as a Postdoctoral Researcher. His research will focus on applying data science to the field of chemistry.
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On 5.12.2025, Simen Kvaal published a reader contribution piece in the online newspaper Khrono.no, Norway’s news outlet for academia. The title of the piece was “KI er bullshit” (“AI is bullshit”), and discussed how one as a researcher should consider AI generated content as bullshit in the philosophical sense.
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PhD Vinicius Firmino dos Santos from São Paulo University in Brasil, will be working together with Michele Cascella and Henrique M. Cezar for six months at Hylleraas, UiO.
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Hylleraas-members, Luca Frediani and Evgueni Dinvay, on a research visit in November to Technische Universität München, TUM.
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The Hylleraas Centre made a generous contribution with eight talks on a broad range of research topics at the Annual Meeting of the Quantum and Computational Chemistry Chapter of the Norwegian Chemical Society.
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Trapping of Key “Ate” Intermediates of NHC-Group IV Relevant to Catalyzing Copolymerization of Cyclohexene Oxide with CO2.
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PhD student Sophia Burger from Johannes Gutenberg-University in Germany visited for research collaboration with Michele Cascella and Sigbjørn L. Bore as supervisors.
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Copper (II)-Oxyl Formation in a Biomimetic Complex Activated by Hydrogen Peroxide: The Key Role of Trans-Bis (Hydroxo) Species.
The free-particle propagator, a key operator in various algorithms for simulating the time evolution of the Schrödinger equation, is studied.
Lucía, Jørn, Hannes, and David published their work on graph kernels for machine learning in the Journal of Chemical Information and Modeling.
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New paper published: The study provides a comprehensive view of LiX in organic solvent through the use of machine learning potentials, revealing a dynamical polymorphism that is not easily observable experimentally.
The adiabatic Born-Oppenheimer approximation permeates our fundamental understanding of chemistry but breaks down when molecules interact with attosecond laser pulses. In his seminar at the Department of Chemistry at Aarhus University, Thomas Bondo Pedersen outlined how researchers at the Hylleraas Centre are tackling this challenge.
Phase coexistence in Hamiltonian hybrid particle-field theory using a Multi-Gaussian approach.
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On November 7-8 2024, the seminar DFT in Chemistry — Dispute at Inception and Rise to Prominence was held at the Royal Swedish Academy of Sciences, with a large number of prominent speakers. The meeting was organized by Sture Nordholm and Trygve Helgaker, both members of the Swedish Academy.
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More than 60 people from the Centres of Excellence at the University of Oslo gathered on October 29 at the Norwegian Academy of Science and Letters. This was the third workshop on career development, KUPP3, organized by the Hylleraas Centre.
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“Faglig-pedagogisk dag” is an annual event organized by the University of Oslo where primary and secondary school teachers can be updated and inspired by the most recent research. This year’s contribution from the Hylleraas Centre was given by Thomas Bondo Pedersen.
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The first meeting of the Strategic Partnership on Quantum Technology was held at the Niels Bohr Institute in Copenhagen, Denmark, on October 30, 2024. Thomas Bondo Pedersen presented our research at the Hylleraas Centre.
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Doctoral candidate Sahil Gahlawat at the Department of Chemistry, Faculty of Science and Technology, defended his thesis "Computational Approach to Molecular Reactivity of Transition Metal Complexes" for the degree of Philosophiae Doctor.
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Luis M. Varelais a full Professor Physics of Condensed Matter from the University of Santiago. He visited the Hylleraas Centre in Tromsø for a week in october. Luis collaborated with Luca Frediani during his visit.
Doctoral candidate Hannes Kneiding at the UiO Department of Chemistry, Faculty of Mathematics and Natural Sciences, defended his thesis "Complex Learning - Machine learning approaches for transition metal complexes" for the degree of Philosophiae Doctor.