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Delighted to share the published version of this work, out now in J. Am. Chem. Soc.! doi.org/10.1021/jacs.3… Huge thanks to Nico Ciccia and Yifan Guo for their great work The Hartwig Group Martin Head-Gordon Group College of Chemistry Berkeley Lab #compchem

Delighted to share that our work on nodes, kinetic energy and chemical bonding is out now in J. Am. Chem. Soc.! doi.org/10.1021/jacs.3… Martin Head-Gordon Group #compchem UC Berkeley College of Chemistry Berkeley Lab

The 1st paper from the Shee lab has been accepted, entitled “On the notion of strong correlation in electronic structure theory”! Congrats to our outstanding postdoc Dr. Brad Ganoe Rice University Rice Chemistry pubs.rsc.org/en/content/art… chemrxiv.org/engage/chemrxi…

In August I will be joining UT Dallas Chemistry to start my research group! Thank you to many (Duarte Group , Ed Anderson Group 🇺🇦, Martin Head-Gordon Group, ...) for your support. You can find out about my group's plans here: labs.utdallas.edu/sterling/ More very soon... UT Dallas UTD Natural Sciences & Math

Fantastic to see our work appreciated by the organic chemistry community - thanks and congrats to all involved!

Last project I co-led during PhD is out: Measuring forces on core-excited potential energy surfaces from studying ground state vibrational dynamics with soft X-rays. Experiments from Leone & Neumark groups (led by my good friend Andrew). arxiv.org/abs/2405.05437…

Very well deserved - talented, hard-working, and selfless in equal measures

Great to see this work in its final form! Sadly perhaps my final mechanistic study with Jeremy Nugent #compchem

***We are hiring!*** My group is looking for a postdoc with comp chem experience to join us at UT Dallas Chemistry from August '24. You can find out more about the position and submit your application here: jobs.utdallas.edu/postings/26587 Please share! #compchem

It was a long journey to get here, but I'm so pleased that our paper has finally been published! I still remember the excitement of the first LFER plot #physorg #compchem

We are pleased to announce that #LatinXChem24 is sponsored by the Centro de Química Teórica y Computacional (CQR&C) from U. Andrés Bello . We appreciate your support in this new edition! Visit and register at latinxchem.org

Wouldn't it be great to take common waste plastics like PE and PP and break them back down to high value building blocks? We're excited to share our new method using base metal catalysts in Science Magazine! science.org/doi/10.1126/sc…

Thanks J Org Chem/Org Lett! Maryne Dubois, Juan J. Rojas, Alistair Sterling, Fernanda Duarte, Milo Smith, Dr. James Mousseau, Andrew, Hannah, Phil and Charlie. pubs.acs.org/doi/10.1021/ac…

First group outing - watching an National Cricket League game on campus at UT Dallas

Excited to present a poster on Sunday (1pm) and a talk on Monday (8:40 am) at the meet the CoMSEF faculty candidate sessions of the #AIChEAnnual meeting. Stop by to hear how I use ML and statistical mechanics to study everything from CO2 electrocatalysts to quantum information!

First end-of-semester party for the group! I'm fortunate to have such a great team, both in their research and their cooking skills

New preprint! With Joseph J Gair + the Gair lab MSU Chemistry, we built a set of strained conformers for benchmarking DFT functionals and NNPs. Our new benchmark set, "Wiggle150", is substantially harder than previous conformational benchmarks, with an avg ∆E of 103 kcal/mol.

We have a fully funded #compchem #PhD position available to join our team (duartegroupchem.org)! If you know potential candidates interested in combining physorgchem and #ML please share this opportunity with them! 🗓️Deadline: 31/01/25 ✉️Application: shorturl.at/nHyAo

Powerful reaction and a very interesting mechanistic proposal involving a nickel carbene - thanks for inviting me to be a part of this beautiful work. The first paper from my group! doi.org/10.1021/jacs.4… #compchem