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Research detailing the development of universal AI-enhanced QM method 2, AIQM2, has just been published in Chemical Science.
https://doi.org/10.1039/D5SC02802G
This method can be used for transition state optimisations and full dynamics, at chemical accuracy, and is considerably quicker than DFT with calculations that would take multiple CPU years being feasible overnight.
Lead author Pavlo O. Dra
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A really neat Chemical Science paper has been picked up by Chemistry World.
The study explores electron-sharing and dative bonding and the results suggest that single-electron bonding frameworks may be more common than first thought.
Bonding is always an interesting (and frequently controversial!) area and it frequently provides new surprises!
Paper:
https://doi.org/10.1039/d6sc01276k
Chemistry Wo
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Chemical Science is excited to announce this year’s Chemical Science symposium, on the topic of imaging, biosensing and diagnostics!
Alongside celebrating 15 years of the journal, the winner of our first Chemical Science Lectureship will be presenting their research!
Find out more: rsc.li/chemscisymp2025
The symposium is being held in London, and online, on the 18th and 19th of November 2025.
Spe
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Do you know any researchers that have made significant contributions to digital #chemistry, #AI, #machinelearning and #automation and has published in Chemical Science within the last five years?
Find out how to nominate the for the 2026 Chemical Science Lectureship here: https://rsc.li/chemsci-lectureship26
#Chemistry #AI #MachineLearning #Automation #DigitalChemistry #ChemicalScience
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🔥 Top post: Research detailing the development of universal AI-enhanced QM m · 16 likes + reposts
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Research detailing the development of universal AI-enhanced QM method 2, AIQM2, has just been published in Chemical Science.
https://doi.org/10.1039/D5SC02802G
This method can be used for transition state optimisations and full dynamics, at chemical accuracy, and is considerably…
A really neat Chemical Science paper has been picked up by Chemistry World.
The study explores electron-sharing and dative bonding and the results suggest that single-electron bonding frameworks may be more common than first thought.
Bondi…
Do you know any researchers that have made significant contributions to digital #chemistry, #AI, #machinelearning and #automation and has published in Chemical Science within the last five years?
Find out how to nominate the for the 2026 C…
Remember to vote for the molecule of the year!
https://bsky.app/profile/bribarbu.bsky.social/post/3m5yodu7hks2r
#Chemistry
Professor Tony James is speaking at the Chemical Science Symposium which is being held on the 18th and 19th of November!
Discover his recent research on the detection of peroxynitrite in drug-induced liver injury and FRET nano probes in ou…
Comparative TS optimisations and reaction dynamics are considered against this previous JACS: https://pubs.acs.org/doi/10.1021/jacs.7b02966
And optimisation of the large system is showcased in:
https://pubs.acs.org/doi/10.1021/acs.orglett.…
The winner of this year's Chemical Science Lectureship, Professor Chris Chang, is speaking at this years symposium on imaging, biosensing and diagnostics!
Read his recent Chem Sci paper here: https://doi.org/10.1039/D4SC01183J
This is part…
Check out the latest Synthesis Workshop video with a presentation from Ann-Sophie Paschke and Stefanie Schiele on their latest work with Bill Morandi group that has been published in Chemical Science.
https://www.youtube.com/watch?v=D513hX…
This year's #ChemSciSymposium is fast approaching!
This year's symposium is bringing together the wider Chemical Science community to explore the chemistry of imaging, biosensing and diagnostics, and to celebrate 15 years of the Royal Soc…
The 21st annual Tri-Institutional Chemical Biology Symposium will be held on Thursday, August 28, 2025, 9:00 am – 6:00 pm, on the campus of Memorial Sloan Kettering Cancer Center. Poster submissions are welcome from all attendees, and pri…
I am going to be at WATOC in Oslo this coming Monday through to Wednesday and would love to chat with any attendees about experiences publishing (be that in Chemical Science, RSC journals, or otherwise!).
Feel free to send me a message her…
Chemical Science is excited to announce this year’s Chemical Science symposium, on the topic of imaging, biosensing and diagnostics!
Alongside celebrating 15 years of the journal, the winner of our first Chemical Science Lectureship will …
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