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Hannes Kneiding

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Journal of Chemical Information and Modeling|October 24, 2025
tmQMg* Data Set: Excited State Properties of 74k Transition Metal ComplexesHannes Kneiding, David Balcells
Chemical Science|September 19, 2024
Augmenting genetic algorithms with machine learning for inverse molecular designHannes Kneiding, David Balcells
Nature Computational Science|March 30, 2024
Directional multiobjective optimization of metal complexes at the billion-system scaleHannes Kneiding, Ainara Nova, David Balcells
Journal of Chemical Information and Modeling|November 24, 2024
AABBA Graph Kernel: Atom-Atom, Bond-Bond, and Bond-Atom Autocorrelations for Machine LearningLucía Morán-González, Jørn Eirik Betten, Hannes Kneiding, et al.
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Showing results (1-10 of 4) with videos related to

Sort By:
Pageof 1
Journal of Chemical Information and Modeling|October 24, 2025
tmQMg* Data Set: Excited State Properties of 74k Transition Metal ComplexesHannes Kneiding, David Balcells
Chemical Science|September 19, 2024
Augmenting genetic algorithms with machine learning for inverse molecular designHannes Kneiding, David Balcells
Nature Computational Science|March 30, 2024
Directional multiobjective optimization of metal complexes at the billion-system scaleHannes Kneiding, Ainara Nova, David Balcells
Journal of Chemical Information and Modeling|November 24, 2024
AABBA Graph Kernel: Atom-Atom, Bond-Bond, and Bond-Atom Autocorrelations for Machine LearningLucía Morán-González, Jørn Eirik Betten, Hannes Kneiding, et al.
Pageof 1