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RGB Lab @ MIT @RGBLabMIT

Official Twitter for the Gómez-Bombarelli group @MIT_DMSE | We use atomistic simulations and ML for accelerated materials design | Managed by group members gomezbombarelli.mit.edu Cambridge, MA Joined October 2022
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    151
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RGB Lab @ MIT @RGBLabMIT

8 months ago

We're out. So long, and thanks for all the fish Group's Bluesky bsky.app/profile/rgblab… Rafa's LinkedIn linkedin.com/in/rgbombarell…

RGBLabMIT Profile Picture

RGB Lab @ MIT @RGBLabMIT

9 months ago

Slightly less surprising than you'd think. We ran into the same wall three years ago iopscience.iop.org/article/10.108…

BiologyAIDaily Profile Picture

Biology+AI Daily @BiologyAIDaily

9 months ago

Slightly less surprising than you'd think. We ran into the same wall three years ago iopscience.iop.org/article/10.108…

RGB Lab @ MIT retweeted
AkshaySubraman9 Profile Picture

Akshay Subramanian @AkshaySubraman9

9 months ago

📢New preprint out! We constrain the molecular generation space to follow the "symmetry" of patented molecules that are likely to be synthesizable. Achieved with "symmetry-aware" fragment decomposition, and a constrained Monte Carlo Tree Search generator. arxiv.org/abs/2410.08833

RGB Lab @ MIT retweeted
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Nofit @NofitSegal

9 months ago

Zero-shot extrapolation for out-of-distribution (OOD) chemical property prediction is an important step towards high-performance materials discovery. Check out our spotlight at the #NeurIPS AI for Accelerated Materials Design Workshop! openreview.net/pdf?id=HkfnueE…

RGBLabMIT Profile Picture

RGB Lab @ MIT @RGBLabMIT

10 months ago

I will always upvote bogus enthalpy-entropy compensation. My thesis advisor, J Casado, loved this paper. I remember doing the calculations in undergrad kinetics class some 20 years ago

Andrew_S_Rosen Profile Picture

Andrew S. Rosen @Andrew_S_Rosen

10 months ago

I will always upvote bogus enthalpy-entropy compensation. My thesis advisor, J Casado, loved this paper. I remember doing the calculations in undergrad kinetics class some 20 years ago

RGB Lab @ MIT retweeted
gecniv Profile Picture

gecniv 📷 | Vince Guillerm 👨‍🔬 @gecniv

10 months ago

MERGED NETS 💎📄 I can’t describe 350+ new nets in 280 signs, so just watch the animation & read our new paper in @ScienceMagazine 👨‍🎨💎👨‍🔬 with @Eddaoudi_FMD3. In short, we merge nets together and get new topologies perfect for designing mix-ligand #MOFs. science.org/doi/10.1126/sc…

RGB Lab @ MIT retweeted
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DMSE at MIT @mit_dmse

10 months ago

Applying to DMSE? The DMSE Application Assistance Program (DAAP) offers support for students from underrepresented groups in science and engineering. You’ll be paired with a grad student mentor to guide you through the application process. Apply by Nov 1. buff.ly/4fd3CsI

RGB Lab @ MIT retweeted
mit_dmse Profile Picture

DMSE at MIT @mit_dmse

11 months ago

In tomorrow’s Wulff Lecture, DMSE’s Professor Antoine Allanore will explore greener iron and steel production processes, highlighting innovations that use electricity instead of carbon. October 23 | 4 pm | 6-120 buff.ly/40gaUHS

RGB Lab @ MIT retweeted
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Sulin Liu @su_lin_liu

11 months ago

Code💻: github.com/liusulin/DDPD HuggingFace paper page 📰: huggingface.co/papers/2410.06… Shout out again to my amazing collaborators 🙌🙌🙌 and @thjashin for insightful discussion ❤️❤️❤️! (11/11)

RGB Lab @ MIT retweeted
su_lin_liu Profile Picture

Sulin Liu @su_lin_liu

11 months ago

Discrete generative models use denoisers for generation, but they can slip up. What if generation *isn’t only* about denoising?🤔 Introducing DDPD: Discrete Diffusion with Planned Denoising🤗🧵(1/11) w/ @junonam_ @AndrewC_ML @HannesStaerk @xuyilun2 Tommi Jaakkola @RGBLabMIT

RGB Lab @ MIT retweeted
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Luigi Bonati @LuigiBonati

11 months ago

Final group photo of the @cecamEvents workshop on "Advances in catalytic reactivity simulations under operando conditions"! Thanks to all participants for your valuable contributions and stimulating discussions and to @IITalk @fondazione_fair for support & CASALE SA for sponsor

RGB Lab @ MIT retweeted
peng_jiayu Profile Picture

Jiayu Peng @peng_jiayu

11 months ago

Please help repost and spread the word. 🙏 My research group at @UBuffalo's Materials Design & Innovation (@UBengineering & @UBCAS) is recruiting multiple graduate students! ubwp.buffalo.edu/jiayu-peng-lab… If you are interested in combining 🤖 data science and machine learning with ⚛️…

RGB Lab @ MIT retweeted
peng_jiayu Profile Picture

Jiayu Peng @peng_jiayu

12 months ago

📢 New preprint alert! Our latest work @RGBLabMIT, “Learning Ordering in Crystalline Materials with Symmetry-Aware Graph Neural Networks,” is out on arXiv: arxiv.org/abs/2409.13851 ⚛️ Chemical ordering in crystalline materials, ranging from well-ordered elemental arrangements to…

RGBLabMIT Profile Picture

RGB Lab @ MIT @RGBLabMIT

12 months ago

🚨 New release! Our VSSR-MC code for sampling material surface reconstructions at the atomic scale is now more modular, readable, and user-friendly. 🔧✨ Check out the code on GitHub: github.com/learningmatter… Paper: rdcu.be/ds0hG Feedback and contributions welcome!

RGB Lab @ MIT retweeted
swagata1006 Profile Picture

Swagata Roy @swagata1006

a year ago

I am happy to share that our paper "Learning a reactive potential for silica-water through uncertainty attribution" was published in @NatureComms: nature.com/articles/s4146… @RGBLabMIT

RGB Lab @ MIT retweeted
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MolSSI @MolSSI_NSF

a year ago

🎉 We're thrilled to announce our 1st class of MolSSI Faculty Fellows, who will collaborate with us over the next 2 years to create cutting-edge curricular resources, integrating programming, data, & computational education into their courses. Welcome! 👏 molssi.org/fellowship/202…

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