🔥The 9th Round of Easy Loan, Earn $40 Reward is in progress❗️ ⏰ Promotion Period: January 15th - Feburary 15th, 2025 👉 Register now and check more details at gate.io/campaigns/358

Learn more about our center here! youtube.com/watch?v=MprZ46…

Together with Seonah Kim and @StevenLopez_neu , excited to bring together an excellent lineup of speakers for the Sustainable Catalyst Design using #AI and #ML symposium at the #gcande meeting in Atlanta tomorrow!

Thanks to all of today’s participants in #AI and #ML enabled catalyst design in Atlanta

Machine learning models require reliable training data and ORCA (FACCTs) is the ideal tool to generate large amounts of it. Check out the paper by Greb and colleagues, who used ORCA to predict fluoride ion affinities with their FIA-GNN model. doi.org/10.1002/anie.2…

☑️ Day 1 of the international #CAMLC24 was a huge success (well, after we found out there was A/C in the classroom). I’m so glad to have the opportunity to help lead this short course on cheminformatics, automation and machine learning in chemistry.

Looking forward to ECOFR XV - 2024 in Manchester this year!

Congrats Mihai Popescu - Dynamic Vertical Triplet Energies: Understanding and Predicting Triplet Energy Transfer is now online Chem authors.elsevier.com/a/1jUsf8jWHELG…

Alana, Arindam, and Mihai dropped a comprehensive preparative, spectroscopic, and computational study to understand why this photocatalytic aziridination is so darn good. Big collab among us, Niels Damrauer, and Robert Paton through the new SuPRCat CCI. pubs.acs.org/doi/full/10.10…

Alana, Mihai, and Arindam reported a comprehensive synthetic, spectroscopic, and computational study on a general approach to alkene aziridination, now out in ACS Catalysis! 🔺 pubs.acs.org/doi/full/10.10…

Ken Houk wraps up a fun meeting in Zhejiang

Exited to share our latest collaboration with the Aggarwal group on platinum catalyzed diborylation of alkenes.

Robert Paton (Robert Paton) discusses how to predict the reactivity and selectivity of radicals using computational methods #ECOFRxv

Congratulations to Dr. Kristen Gardner-Fasanya, PhD, Jin Tan, and our collaborators in Robert Paton's lab and Sigman Lab on the publication of our work on remodeling of 2-pyrones to aryl amines in Chemical Science doi.org/10.1039/D4SC04…

Reminder: The C-CAS Semi-Annual Meeting Series begins next Monday (9/16) and will feature select C-CAS projects. 12-1 PM ET. Register here: docs.google.com/forms/d/e/1FAI… #compchem #Innovation #Science #Networking #ProDevo #research

The final chapter of my PhD with Sarpong Group at College of Chemistry is published! Check out our full story of how we approached the synthesis of Daphniphyllum alkaloids inspired by molecular complexity scoring, out now in J. Am. Chem. Soc. 🎉 pubs.acs.org/doi/10.1021/ja…

Congrats to the Paton (Robert Paton), Damrauer (Niels Damrauer), and Miyake (Miyake Research Group) groups for their collaborative work on photocatalyzed C-F bond reduction and PFAS degradation published today in Nature! nature.com/articles/d4158…

Magn. Reson. Chem. (MRC) GlycoNMR Special Collection edited by Anthony S. Serianni and Darón I. Freedberg …iencejournals.onlinelibrary.wiley.com/doi/toc/10.100… Patrick Giraudeau Daron Freedberg

📢 Applications open to join the second edition of the CAMLC workshop, a great opportunity for chemists who want to learn about cheminformatics, automation, and machine learning. September 16-19 in Zaragoza, Spain. 🗓️ Application deadline: February 28 👉🏻 camlcworkshop.github.io

Consider signing up this year!

Happy to see this out! Thanks to Gouverneur Group & Lloyd-Jones Research Group