NKS Quantum Chemistry and Modelling Meeting

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.

Bildet kan inneholde: møbler, bord, stol, frakk, samspill.

The Hylleraas Centre contributed with eight talks Photo: Luca Fredriani, Hylleraas Centre, UiT.

By David Balcells, Marco Bortoli, Arron Burnage, Henrique Cezar, Hannes Kneiding, André Laestadius, Lucía Morán-González and Simon Schrader.

Published Nov. 28, 2024

The diverse research topics covered by the talks of the Hylleraas members included generative AI for chemistry, MD with machine learning, high throughput virtual screening, meta-inference in data-driven simulations, deep graph learning, electron-dynamical DFT, chemoinformatics methods for metal complexes, and electronic structure time-evolution with Gaussians.

The speakers were: David Balcells, Marco Bortoli, Arron Burnage, Henrique Cezar, Hannes Kneiding, André Laestadius, Lucía Morán-González, and Simon Schrader.

Place of presentation: Quality Hotel Augustin, Trondheim. November, 12-13 2024. https://sites.google.com/view/nks-fall-meeting-2024/home

Bildet kan inneholde: smil, bord, stol, hendelse, t-skjorte. — Good chemistry among researchers in the Hylleraas group. Photo: Luca Frediani.

Tags: Hylleraas Centre, AI for chemistry, Machine Learning, data-driven simulations, electronic structure, Gaussians, DFT

Published Nov. 28, 2024 1:26 PM - Last modified Mar. 2, 2025 3:57 PM