Teresa Head-Gordon's Group at UC Berkeley. This twitter account is not managed by Teresa herself.
Joined June 2020
- Tweets 109
- Following 179
- Followers 771
- Likes 769
14 Photos and videos
14 Oct 2024
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: doi.org/10.1038/s41467-024-5…
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14 Oct 2024
Congrats to Eric Yuan for his first publication with the group!
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Teresa Head-Gordon Lab retweeted
5 Sep 2024
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: arxiv.org/abs/2409.02231 (1/4)
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21 Jun 2024
🎙️ 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/1204337/15285…
#ArtificialIntelligence #EthicsInTech
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Teresa Head-Gordon Lab retweeted
11 May 2024
Organized together with @thg_lab @GiEmmePi1 @GroupParrinello @mhg_group & Vanda Glezakou,
with the support of @cecamEvents @IITalk and sponsored by CASALE (casale.ch)
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26 Oct 2022
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.
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Teresa Head-Gordon Lab retweeted
30 Sep 2022
Farewell #EuroQSAR selfie with @fiona_chembot and warmest congrats to her for winning the best prize award🏆
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26 Sep 2022
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..." pubs.acs.org/doi/10.1021/acs…
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Teresa Head-Gordon Lab retweeted
11 Aug 2022
Many experimentally known high-pressure ice phases are structurally very similar. In a new paper
nature.com/articles/s41467-0…
we combine a ML potential and statistical mechanics to reveal the nature of phase boundaries and suggest novel solid-solid transition mechanisms.
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Teresa Head-Gordon Lab retweeted
8 Aug 2022
Today we're pleased to share this infographic NewtonNet by the @thg_lab. Check out the full paper #openaccess here: doi.org/10.1039/D2DD00008C #compchem #machinelearning
ALT An infographic describing the research in the linked paper.
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Teresa Head-Gordon Lab retweeted
5 Aug 2022
Hello new home for the next few years 👋 #Berkeley
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Teresa Head-Gordon Lab retweeted
4 Aug 2022
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
pubs.acs.org/doi/10.1021/acs…
2 Feb 2022
Wonderful to see, given that some people are so worried about censorship and cancel culture in chemistry, that certain concerned parties have recently managed to publish very similar takes in IUPAC (degruyter.com/document/doi/1…) and GDCh publications (onlinelibrary.wiley.com/doi/…)
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Teresa Head-Gordon Lab retweeted
5 Aug 2022
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!
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Teresa Head-Gordon Lab retweeted
5 Aug 2022
“basic research is the foundation on which all technologic advances rest” nature.com/articles/s42254-0…
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Teresa Head-Gordon Lab retweeted
4 Aug 2022
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.
4 Aug 2022
Led by John Herbert, I am part of a group of scientists that is responding to the recent work of Krylov et al. on the subject of academic "free speech." Check our position, and if you agree with it, please RT to amplify #RealTimeChem #inclusion #respect pubs.acs.org/doi/10.1021/acs…
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Teresa Head-Gordon Lab retweeted
4 Aug 2022
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
4 Aug 2022
Led by John Herbert, I am part of a group of scientists that is responding to the recent work of Krylov et al. on the subject of academic "free speech." Check our position, and if you agree with it, please RT to amplify #RealTimeChem #inclusion #respect pubs.acs.org/doi/10.1021/acs…
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Teresa Head-Gordon Lab retweeted
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 @JPhysChem Letters to share our view. #compchem | pubs.acs.org/doi/10.1021/acs…
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4 Aug 2022
Words Matter: On the Debate over Free Speech, Inclusivity, and Academic Excellence pubs.acs.org/doi/10.1021/acs…
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