Check out Lowie's latest work. By using a second-derivative correction, the semiempirical GFN2-xTB method accelerates the generation of hindered-rotor torsional energy profiles by a factor of 700 with near-DFT accuracy, massively speeding up thermodynamic workflows. #ChemSky
doi.org/10.1021/acs....
Check out Lowie's latest work. By using a second-derivative correction, the semiempirical GFN2-xTB method accelerates the generation of hindered-rotor torsional energy profiles by a factor of 700 with near-DFT accuracy, massively speeding up thermodynamic workflows. #ChemSky
doi.org/10.1021/acs....
Excited to share a career update! This week, I started my 4-month stay in the LIAC lab with @pschwllr.bsky.social at EPFL, as part of my FWO-funded postdoc. Very much looking forward to collaborating with the team, and happy to connect with the Swiss AI for science community. #ChemSky #AI4Science
Excited to share a career update! This week, I started my 4-month stay in the LIAC lab with @pschwllr.bsky.social at EPFL, as part of my FWO-funded postdoc. Very much looking forward to collaborating with the team, and happy to connect with the Swiss AI for science community. #ChemSky #AI4Science
In der Forschung wird bald nichts mehr ohne KI gehen, erklärt der Chemiker Maarten Dobbelaere im Interview. Aber welche KI? »Die bahnbrechende KI-Anwendung der Zukunft wird möglicherweise nicht das sein, was man heute unter KI versteht«, sagt er. #repost
Looking forward to this great event!
An extreme example of why the h-index without self-citations is interesting
🧑🏽🔬 Our reaction analysis tool Rxn-INSIGHT has been downloaded thousands of times since the documentation release (rxn-insight.readthedocs.io)! We're continually working to improve it and would now love to hear your feedback. #ChemSky (1/2)
Have you used Rxn-INSIGHT? Let us know how you're using Rxn-INSIGHT, what features you find helpful, and what improvements you’d like to see.
🧑🏽🔬 Our reaction analysis tool Rxn-INSIGHT has been downloaded thousands of times since the documentation release (rxn-insight.readthedocs.io)! We're continually working to improve it and would now love to hear your feedback. #ChemSky (1/2)
How long till "Killed by Google"?
The difficulty in actually finding these numbers tells me enough about what the creators at Google think about it. 😅
Google Scholar has "released" their h5-index for journals again, and this tells me nothing more than the number of review papers published by a journal. Perhaps, if we normalise the h5-index by the number of papers published in that journal, we might obtain a somewhat valuable indicator... #ChemSky
A good day to take out the bike and enjoy gravel roads
Lyon, a wonderful city by day and night. Perfect setting for a fruitful TransPharm general assembly meeting, bringing together AI, #GreenChemistry, and ecotox research
In an extremely hot but beautiful Lyon for our annual meeting of the Horizon Europe project TransPharm (Transforming into a sustainable European pharmaceutical sector) where AI, synthesis, and ecotox meet to discover greener pharmaceuticals
@chsteven.bsky.social
#chemsky #GreenChemistry
That brings my visit to the University of York to an end. It was lovely to see all the great green chemistry research being done here and to meet many new people! For now, looking forward to new adventures #chemsky #GreenChemistry #chemengsky
Happy to give a seminar in York on Friday on digitalising chemical reaction engineering, all welcome! #chemsky #chemengsky #GreenChemistry
Campus of the University of York
Summer in England!
Today in the photogenic city of Leeds
Cheminformatics family businesses be like
Visiting the University of York till the end of June. If anyone in the UK likes to chat about AI/ML in chemistry/ChemE, green chemistry, flow chemistry, or show me around their lab; I would love to connect and meet up!
What a week! I’m incredibly honoured to have been awarded a junior postdoctoral fellowship from @fwovlaanderen.bsky.social, with only 16.1% of applications funded this year.
This fellowship, hosted by UGent and VIB, allows me to work on self-driving labs and collaborate with leaders in the field!
Thank you, it really is memorable!
Thank you!
What a week! I’m incredibly honoured to have been awarded a junior postdoctoral fellowship from @fwovlaanderen.bsky.social, with only 16.1% of applications funded this year.
This fellowship, hosted by UGent and VIB, allows me to work on self-driving labs and collaborate with leaders in the field!
🎓 Proud to share that I successfully defended my PhD in Chemical Engineering at Ghent University yesterday with my dissertation titled "Molecular Machine Learning for Chemical Reaction Engineering"!
🚀 Excited for what’s ahead and to further contribute to #AIforChemistry!
#Chemsky #PhDone
On my way to La Rochelle for the International Symposium on Green Chemistry (#ISGC). Looking forward to this event and happy to meet new people! Find me in Room 4 on Monday (talks at 14:00 and 15:30/45)!
#greenchemistry
Deepwiki is awesome! It creates a wiki for every GitHub repository by replacing github.com by deepwiki.com. Just tried it out with Rxn-INSIGHT and now there is even more documentation and insight in reactions
deepwiki.com/mrodobbe/Rxn...
Partial solar eclipse and clouds
Days like these are why I always have eclipse glasses in my drawers
