Computational Catalysis; Machine Learning; Materials Informatics

Blacksburg, VA
Join us at #RSCFIRST2026: AI in Chemistry, 19–21 Nov in Xiamen with Nobel Laureates & global pioneers. Explore intelligent computation, experimental digitalisation, AI for synthesis, energy & electrochemistry. Abstracts due 15 Sept. International support: rscfirst.org.cn
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Thanks Chris for the shoutout!
The @XinGroup_VT @VT_ChE @VTEngineering seeks a #postdoc to drive the development of agentic AI systems for accelerating computational catalysis and experimental design. Apply by Jan. 2nd, 2026! careers.pageuppeople.com/968…
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It was great to have Bang on foundation AI agents! The recording is now available at: piped.video/h6Gvd_9j63s.
Our last but definitely not least AIMEDx Webinar of the semester is here! 📅 Nov 24, 2025 (Monday), 10AM ET Prof. Bang Liu @Mila_Quebec (U. Montréal) Register ➡️ aimedx.github.io/webinar #AI4Science
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Our last but definitely not least AIMEDx Webinar of the semester is here! 📅 Nov 24, 2025 (Monday), 10AM ET Prof. Bang Liu @Mila_Quebec (U. Montréal) Register ➡️ aimedx.github.io/webinar #AI4Science
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Join us for the next AIMEDx Webinar with Prof. Philippe Schwaller (EPFL)! He will talk about "Teaching Language Models Chemistry: From Design and Synthesis to Reasoning". @pschwllr @EPFL Oct. 31, 2025 | 10:00 AM ET Register: aimedx.github.io/webinar #AI #Chemistry #AIMEDx #LLMs
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Thanks very much, @pschwllr, for an excellent talk! The webinar recording is now available: piped.video/f_vJwg5ThS8
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Thanks to all who applied to the 2026 GRC AIMECS! Applications exceeded capacity, and we received many travel-aid requests. With federal funding uncertain, we are seeking additional industry support. Interested in supporting the meeting? Please reach out.
Applications are OPEN for the 2026 @GordonConf on AI for Materials, Energy, and Chemical Sciences (AIMECS)! 📅 Feb. 1–6, 2026 📍 Galveston, TX Keynotes by @KPatBerkeley, Matthias Scheffler @NoMaDCoE, @leecronin, @Sergei_Imaging. 🔗 Apply: tinyurl.com/2026GRC-AIMECS #AI4Science
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Looking forward to hosting Philippe for this exciting webinar! You can still register online. Hope to see you all this Friday. Note one hour earlier than previous webinars.
Join us for the next AIMEDx Webinar with Prof. Philippe Schwaller (EPFL)! He will talk about "Teaching Language Models Chemistry: From Design and Synthesis to Reasoning". @pschwllr @EPFL Oct. 31, 2025 | 10:00 AM ET Register: aimedx.github.io/webinar #AI #Chemistry #AIMEDx #LLMs
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Join us on Oct. 16 (Thursday), 2025 (11:00 AM ET) for a webinar by Prof. Nong Artrith @NArtrith (Utrecht University) on “Machine Learning Pathways for Catalysis: From Atoms to Accelerated Materials Discovery.” Register: aimedx.github.io/webinar #AI4Science #AIMEDx
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Thank you @NArtrith for an excellent talk! The webinar recording is now available: piped.video/augNVoGEmRc
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Excited to host Prof. Artrith this week! Do not miss it if you are interested in AI for materials discovery!!
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The AIMEDx webinar series returns next Monday with Prof. Paul Liang (MIT) @pliang279 on the Foundations of Multisensory Artificial Intelligence. Don't miss this deep dive into the future of AI for science. Register: aimedx.github.io/webinar #AI #MultimodalAI #AI4Science
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Thanks Paul for a great webinar! The recording is now available: piped.video/KbmZC3f2Buo
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Registration is still open: virginiatech.zoom.us/webinar… This is a great opportunity to hear directly from one of the experts in AI for science. @pliang279 📅 Monday, Sept. 29 | 11 AM ET | Online 🔑 Free registration #AI #MultimodalAI #AI4Science
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Always great to discuss theory, computation, and AI with Tej! @tejchoksi
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Excited to share the first article from our AIMEDx Workshop on Heterogeneous Catalysis! @johnkitchin @TheorHetCatICIQ @nschweitz1 With 21 authors, we present a forward-looking roadmap. More to come, stay tuned! chemrxiv.org/engage/chemrxiv… Thanks to @NSF for supporting the workshop.
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Together with John Kitchin @johnkitchin and Heather Kulik @KulikGroup, we are excited to share that our Comment, "Toward Agentic Science for Advancing Scientific Discovery", is now online in Nat. Mach. Intell. @NatMachIntell. Read the full article here: rdcu.be/eFm8c
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Compute may be finite, but ideas are not. Excited to catch up with @victorxfung
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Day 1 of my sabbatical at MIT @MITChemE! Huge thanks to Prof. Heather Kulik @KulikGroup for hosting me. Can not wait to dive into hybrid catalytic systems at organic-inorganic interfaces and test the limit of AI and ML for pushing catalysis science forward.
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Proud to share that @VT_ChE is an official sponsor of the 2026 @GordonConf AIMECS, taking place in Galveston, TX, Feb 1–6. Looking forward to advancing AI-driven innovation in materials, energy, and chemical sciences with global scientific leaders! Apply: tinyurl.com/2026GRC-AIMECS
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