To keep in mind the next time you look up to Orion:
esa.int/ESA_Multimedia…

Du you want to be my colleague? My team is looking for a computational chemist/data scientist, SE or UK: careers.astrazeneca.com/job/gothenburg… #chemjobs #euchemjobs AstraZeneca

I will be giving an online talk tomorrow at 17:00 CEST on geometric deep learning for chemical reactions as part of this great talk series: portal.valencelabs.com/events/post/eq… Valence Labs Feel free to join!🧪💻

Very cool paper in Science by the Baker Lab at UW. Screening of 15M macrocycles is enabled by our AIMNet machine learning potential! #compchem Can you imagine what we can do with a 2nd generation of AIMNet2 💪🏻🦾 science.org/doi/10.1126/sc…

Exactament això, tot és lent i difícil, i sempre sempre pendents de si hi haurà el.leccions per veure si tindrem diners o no...
Fer ciència a sud d'Europa és tasca d'heroïnes.

Our Nature Catalysis reviews data-driven strategies to solve challenges across heterogeneous, homogeneous and enzymatic catalysis, underscoring the importance of data standardization to spur research in digital catalysis, with Manu 👇
doi.org/10.1038/s41929…

Zoubin about the promise of AI for Material Sciences. Needless to say: I agree with him.

David Balcells Hylleraas Centre for Quantum Molecular Sciences An accompanying Research Briefing for this paper is now available! nature.com/articles/s4358…

👉rdcu.be/dE7Pc

Very interesting work on generative ML for molecules, including multiobjective optimization.

Interested in coming to Vienna to work on computational catalysis and reaction dynamics as #MSCA postdoc? Drop me a message. TU Wien offers support

🚨EXCELLENT AI PAPER ALERT: 'Theory Is All You Need: AI, Human Cognition, and Decision Making' by Teppo Felin & Matthias Holweg is all you need to read about AI today. Quotes:

'The differences between human and machine learning—when it comes to language (as well as other…

Just published a fresh perspective on our work with hidden descriptors over the past few years at Maseras Group ICIQ 🙂 Check it out! 🔍 sciencedirect.com/science/articl… #compchem #mazinchemz

Fine control over the Pareto front optimization of metal complexes with a diverse library of synthesizable ligands yielding vast chemical spaces? We did our best in this Nature Computational Science article with H. Kneiding and A. Nova Hylleraas Centre for Quantum Molecular Sciences #GenerativeAI
nature.com/articles/s4358…

Chemistry is Data Science?! 0⃣1⃣0⃣
'Bridging the information gap in organic chemical reactions' -- just published in Nature Chemistry by Glorius Group. Let's do it!🦾🧑‍🔬
SharedIt link: rdcu.be/dCLck

nature.com/articles/s4155…

Prediction of O and OH Adsorption on Transition Metal Oxide Surfaces from Bulk Descriptors #machinelearning #compchem pubs.acs.org/doi/abs/10.102…

Great new work by Alexander Stroh Pascal Friederich et al KIT Karlsruhe - 'Actively learning costly reward functions for #reinforcementlearning ' - iopscience.iop.org/article/10.108… #machinelearning #algorithms #compchem #materials #AI #BigData #HPC #informatics

Yuri's paper extending cell2mols ability to process crystallographic files is now live: Automated Prediction of Ground State Spin for Transition Metal Complexes | ChemRxiv - go.shr.lc/4cIU9Jd

Dear LatinXChem community. New PhD grants for Female students @iciqChem.
Deadline 26th May
careers.iciq.org/jobs/3744155-i…

P. Pracht and co-workers proudly present #CREST -3.0!
It features major code revisions and a variety of new implementations for improved and accelerated conformer search! 🧪🔍 Try it here (github.com/crest-lab/crest) and see our publication at pubs.aip.org/aip/jcp/articl….

New preprint: Discovery of molybdenum based nitrogen fixation catalysts with genetic algorithms doi.org/10.26434/chemr…
with Magnus Strandgaard and Julius Seumer #compchem