Teresa Head-Gordon Lab

Teresa Head-Gordon's Group at UC Berkeley. This twitter account is not managed by Teresa herself.

[Teresa Head-Gordon Lab @thg_lab]

Congrats to Eric Yuan for his first publication with the group!

[Teresa Head-Gordon Lab @thg_lab]

Why use BFGS when you can have the full Hessian? Transition state refinement needs Hessian info—hard to get with DFT, but not with ML potentials! Just take the second derivative, no special training required. More details: https://t.co/a6dGd5FX6T

[Oliver Sun @kunyangsun]

Fresh out of the arxiv! In this work, we (Joe, @dyushag , Dorian, and myself @thg_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: https://t.co/NdWGtpsABl (1/4)

[Teresa Head-Gordon Lab @thg_lab]

🎙️ 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!

🔗 https://t.co/VkFuFVBv5S

#ArtificialIntelligence #EthicsInTech

[Luigi Bonati @LuigiBonati]

Organized together with @thg_lab @GiEmmePi1 @GroupParrinello @mhg_group & Vanda Glezakou,
with the support of @cecamEvents @IITalk and sponsored by CASALE (https://t.co/kZ9BDWIeq6)

[Teresa Head-Gordon Lab @thg_lab]

We are delighted to host our lab alumni @Mejohnson81 for the physical chemistry seminar @UCB_Chemistry. We really enjoyed the lunch and the talk! Hope to see your new research progress soon.

[Olexandr Isayev 🇺🇦🇺🇸 @olexandr]

Farewell #EuroQSAR selfie with @fiona_chembot and warmest congrats to her for winning the best prize award🏆

[Teresa Head-Gordon Lab @thg_lab]

From the South Side of Chicago to Berkeley, California with Stops in Between. An Autobiography of a true legend @UCB_Chemistry. Quoting my favorite sentence: "Advice ... is to be understood and appreciated, but you must make the final judgments..." https://t.co/YrAsfs8rzF

[Bingqing Cheng @ChengBingqing]

Many experimentally known high-pressure ice phases are structurally very similar. In a new paper
https://t.co/j2DUdVDztE
we combine a ML potential and statistical mechanics to reveal the nature of phase boundaries and suggest novel solid-solid transition mechanisms.

[Digital Discovery @digital_rsc]

Today we're pleased to share this infographic NewtonNet by the @thg_lab. Check out the full paper #openaccess here: https://t.co/dxQlPTOQ29 #compchem #machinelearning

[Melanie T. Huynh @MelanieTHuynh]

Hello new home for the next few years 👋 #Berkeley

[Laura Howes @L_Howes]

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 @JPhysChem Letters
https://t.co/wYQD8sf56k

[MolSSI @MolSSI_NSF]

Former MolSSI Software Fellow @chenru_duan just successfully defended his PhD @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!

[Teresa Head-Gordon Lab @thg_lab]

@aekert @stevendengue I was a postdoc there and all I can say it was a dream place to be doing science

[Artur Ekert @aekert]

“basic research is the foundation on which all technologic advances rest” https://t.co/PcE4boqyWM

[stephencass @stephencass]

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.

[Jennifer Murphy @envchemjen]

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

[Teresa Head-Gordon Lab @thg_lab]

@qchemprof @A_Aspuru_Guzik @hphratchian @mhg_group @RommieAmaro, Roald Hoffman, @parishcarol,
@thg_lab, Christina Payne, and Troy Van Voorhis