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BerndEnsing.bsky.social

@berndensing

Associate professor in computational chemistry at the University of Amsterdam. Scientific director of the AI4Science Lab @UvA.

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Latest posts by BerndEnsing.bsky.social @berndensing

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Postdoctoral fellowship position open in the AI for Chemistry group @University of Amsterdam on the topic of Geometric Deep Learning for Molecule and Material Design.

Please forward to PhDs wishing to work with machine learning and molecular modeling.

Apply here: tinyurl.com/2ahmpv93

03.03.2025 09:49 πŸ‘ 0 πŸ” 0 πŸ’¬ 0 πŸ“Œ 0
Learning Neural Free-Energy Functionals with Pair-Correlation Matching The intrinsic Helmholtz free-energy functional, the centerpiece of classical density functional theory, is at best only known approximately for 3D systems. Here we introduce a method for learning a ne...

🚨 Excited to share our work just published in Physical Review Letters with @wellingmax.bsky.social, @jwvdm.bsky.social, @berndensing.bsky.social, Marjolein Dijkstra and René van Roij: doi.org/10.1103/Phys....

Details below πŸ‘‡

13.02.2025 09:21 πŸ‘ 11 πŸ” 3 πŸ’¬ 1 πŸ“Œ 3

and Kevin Jablonka, Mohamed Moosavi, Alberto Perez de Alba OrtΓ­z, and the Comp.Chem. Group at HIMS UvA.

20.01.2024 13:23 πŸ‘ 1 πŸ” 0 πŸ’¬ 0 πŸ“Œ 0
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It’s a wrap! Two exciting weeks packed with inspiring lectures and tutorials during #MolSim2024. Happy simulating! See you all next year in Amsterdam! Thanks to co-teachers: Berend Smit, Daan Frenkel, Evert Jan Meijer, Jocelyne Vreede, Ioana Ilie, Thijs Vlught, David Dubbeldam, Peter Bolhuis,

20.01.2024 13:20 πŸ‘ 3 πŸ” 0 πŸ’¬ 1 πŸ“Œ 0
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β€˜AI marks a significant turning point in materials development’ According to Bernd Ensing, AI has officially reached the field of (in)organic chemistry due to GNoME and MatterGen discovering new materials.

The English version of the article is here: www.sciencelink.net/features/ai-....

20.01.2024 13:07 πŸ‘ 1 πŸ” 0 πŸ’¬ 0 πŸ“Œ 0
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β€˜AI betekent een niet te onderschatten kentering in ... De recente publicatie van een ongekend aantal, door AI voorspelde, nieuwe kristalstructuren oogstte lof en kritiek. Volgens Bernd Ensing betekent het in ieder geval dat AI nu ook de (an)organische che...

Did you hear about the new AI algorithms for material discovery by Google Deepmind (GNoME) and Microsoft (MatterGen) that came out last November? Millions of new materials were generated. I wrote a short commentary about it in C2W Magazine (in Dutch): www.sciencelink.net/mensen-and-m...

20.01.2024 13:06 πŸ‘ 0 πŸ” 0 πŸ’¬ 1 πŸ“Œ 0

Thanks Volker!

18.01.2024 17:47 πŸ‘ 1 πŸ” 0 πŸ’¬ 0 πŸ“Œ 0

Hello world! My first small steps in the Bluesky universe, thanks to @lindorfflarsen.bsky.social. Prepared to make the definitive switch from the place formally known as twitter. I hope to find many of my friends here... and make a ton of new friends of course!

18.01.2024 10:57 πŸ‘ 7 πŸ” 0 πŸ’¬ 1 πŸ“Œ 0