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Popular this week: Palladium-Catalyzed Addition of Nitroalkanes to Alkenes Work by Peng Liu, University of Pittsburgh, PA, USA, Keary M. Engle, The Scripps Research Institute, La Jolla, CA, USA, and colleagues chemistryviews.org/palladium-cata…

After a few years of development and testing with Shree Sowndarya and Robert Paton , it’s time to release AQME publicly. This program automates QM and ML workflows (it saves approx. 60-70% of my time). Make, reuse and share your workflows as Jupyter Notebooks or SLURM scripts.

Had a great time at Merck’s Emerging Talent Symposium. Got to network and meet with great scientists and talented students. Thank you to the people who made this possible! #MerckChemistry

Thrilled to see this one out in WIREs! Robert Paton Shree Sowndarya Turki Alturaifi #compchem We're looking to start collaborations and research exchanges to automate new QM/ML workflows. If interested, please reach out to us. wires.onlinelibrary.wiley.com/doi/full/10.10…

New open source software AQME could streamline computational chemistry experiments and save chemists huge amounts of time, as Fer 🚀 reports: chemistryworld.com/news/open-sour…

Very nice piece written by Fer 🚀 in Chemistry World ! 👏🏻👏🏻 Thanks to Kjell Jorner for your comments and credit to all the team in the paper Shree Sowndarya Robert Paton Turki Alturaifi

Enantioselective Hydroalkenylation and Hydroalkynylation of Alkenes Enabled by a Transient Directing Group: Catalyst Generality through Rigidification (Keary M. Engle and co-workers) Amit Kumar Simlandy @englelab Turki Alturaifi Peng Liu Group #openaccess onlinelibrary.wiley.com/doi/10.1002/an…

1st of a 2-part story (part 2 slated for next week!) showing how the hemilabile and redox-active properties of quinone ligands unlock 🔑 unprecedented scope in Ni-cat alkene additions: tinyurl.com/yc8dzj3c @chemrxiv Ziqi Li Turki Alturaifi Matthew V. Joannou Peng Liu Group

After a few years in development, we introduce ROBERT, a program carefully crafted to make #MachineLearning more accessible to chemists of all programming skill levels while achieving results comparable to those of field experts. #compchem 📝 chemrxiv.org/engage/chemrxi…

I'm deeply honored to be selected as a winner of the 2024 Merck UCC Research Award. It's a privilege to stand among such inspiring peers. Looking forward to a year of learning and growing with #Merck. Thank you to everyone who has supported me along the way. #MerckChemistry

Congratulations to Turki Alturaifi Turki Alturaifi from our group for winning a 2024 Merck Research Award for Underrepresented Chemists of Color! 🎉🎉🎉

Check out our latest work!

Excited to share our latest publication in J. Am. Chem. Soc. We used MD simulations to predict enantioselectivity of dirhodium tetracarboxylate-catalyzed cyclopropanation and the unique HFIP solvent effects. pubs.acs.org/doi/10.1021/ja… Congrats to Turki Alturaifi Binh Khanh Mai Mithun

Thanks for having me Corin Wagen! I am excited to see the future of Rowan!!

Very excited to be part of the team with Bill DeGrado (UCSF) and Yang Yang where we designed four-helix bundle proteins to catalyze stereoselective alkene cyclopropanation and carbene Si-H insertion reactions. Science Magazine Pitt Chemistry science.org/doi/10.1126/sc…

atropisomers? positional isomers? both? We present beautiful and curious class of molecules today in ChemRxiv. 🧐🪞 tinyurl.com/yxyb5rup Amit Kumar Simlandy Turki Alturaifi Peng Liu Group