Words Matter: On the Debate over Free Speech, Inclusivity, and Academic Excellence pubs.acs.org/doi/10.1021/ac…

What do we value as a community? I’ve joined John Herbert, Martin Head-Gordon, Teresa Head-Gordon, Rommie Amaro, Alán Aspuru-Guzik, Roald Hoffmann, Carol Parish, Christina Payne, & Troy Van Voorhis in The Journal of Physical Chemistry Letters to share our view. #compchem | pubs.acs.org/doi/10.1021/ac…

If you're following this ongoing back and forth happening in the chemical literature, the latest rebuttal to the below has just been published in The Journal of Physical Chemistry Letters pubs.acs.org/doi/10.1021/ac…

Although this is firmly grounded in the context of the physical sciences, the conceptual analysis around, e.g. renaming buildings, is excellent and applicable to many domains.

Thanks for contributing to these efforts. I was really disappointed to attend a Telluride workshop last month at which Krylov and others were offered another platform to share their regressive and harmful talking points. "Free speech" is not the same as consequence-free speech

“basic research is the foundation on which all technologic advances rest” nature.com/articles/s4225…

Former MolSSI Software Fellow Chenru Duan just successfully defended his PhD Massachusetts Institute of Technology (MIT) under the direction of Prof. Heather Kulik. We congratulate him on this accomplishment and wish him every success as he begins his professional career!

Today we're pleased to share this infographic NewtonNet by the Teresa Head-Gordon Lab. Check out the full paper #openaccess here: doi.org/10.1039/D2DD00… #compchem #machinelearning

Many experimentally known high-pressure ice phases are structurally very similar. In a new paper nature.com/articles/s4146… we combine a ML potential and statistical mechanics to reveal the nature of phase boundaries and suggest novel solid-solid transition mechanisms.

From the South Side of Chicago to Berkeley, California with Stops in Between. An Autobiography of a true legend College of Chemistry. Quoting my favorite sentence: "Advice ... is to be understood and appreciated, but you must make the final judgments..." pubs.acs.org/doi/10.1021/ac…

Farewell #EuroQSAR selfie with Dr. Fiona (she/her) and warmest congrats to her for winning the best prize award🏆

We are delighted to host our lab alumni Margaret Johnson for the physical chemistry seminar College of Chemistry. We really enjoyed the lunch and the talk! Hope to see your new research progress soon.

Organized together with Teresa Head-Gordon Lab GiovanniMaria Piccini Parrinello Group Martin Head-Gordon Group & Vanda Glezakou, with the support of CECAM IIT and sponsored by CASALE (casale.ch)

🎙️ Our very own Dr. THG dives into "The Ethics of Emerging Technology: The Era of Artificial Intelligence" on this insightful podcast episode. Explore the critical role of ethics in AI with us! 🔗 buzzsprout.com/1204337/152854… #ArtificialIntelligence #EthicsInTech

Fresh out of the arxiv! In this work, we (Joe, Dyusha Gritsevskiy , Dorian, and myself Teresa Head-Gordon Lab ) used supervised fine tuning (SFT) and direct preference optimization (DPO) to modify Llama 3.1 into a chemical language model. See more details here: arxiv.org/abs/2409.02231 (1/4)