Hongliang Xin
@XinGroup_VT
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Computational Catalysis; Machine Learning; Materials Informatics
Blacksburg, VA
Joined April 2018
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: #AI4Science
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All AIMEDx webinar recordings are available here: Thanks to all our speakers and attendees for an incredible season of ideas and inspiration. We are off for a break, wishing everyone a restful summer! .#AI4Science #AIMEDx.
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Thank you to Andrew (@andrewwhite01) for an inspiring AIMEDx webinar on AI agents transforming science! A fascinating look into the future of discovery. Missed it? Watch the recording here: #AI4Science #AIMEDx.
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Don’t miss the final AIMEDx webinar before summer break! Prof. Andrew White (@andrewwhite01) from U. Rochester/FutureHouse will share how AI agents are transforming scientific discovery. 🗓️ Jun 19 (Thursday), 11:00am ET.Registration Required: #AI4Science
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RT @NAM29NACS: Due to a travel issue for one of our keynote speakers, we will have a replacement keynote tomorrow morning, 10:10a-10:50 in….
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Huge congrats to Liping Liu for winning the 2025 Outstanding Graduate Student Research Award! Our department @VT_ChE decided to give them a surprise - otherwise he might have traded the hoodie for a tie :). Well-deserved, Liping!
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Thank you to Prof. Jun Cheng for an insightful AIMEDx webinar on AI² Electrochemistry, discussing how AI and ab initio methods can potentially bridge time and length scales in modeling electrochemical systems. Watch the full recording here: #AI4Science.
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Congrats to my student Raul Diaz for successfully defending his M.S. thesis, focusing on language models for catalysts synthesis! A proud Fulbright scholar from El Salvador, Raul will continue his journey as a Ph.D. student in my group. @VT_ChE
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Thanks Michele @sarazencatlab for a great department seminar today on zeolites and MOFs for sustainable chemistry. Tiny pores can make a big difference!
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Join us next Thursday (May 1) for an exciting AIMEDx Webinar, with Prof. Jun Cheng from Xiamen University, China. Title: Towards AI^2 Electrochemistry. Registration now open: #AI4Science
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Thank you, Dr. Xiang Fu and Dr. Luis Barroso‑Luque, for an enlightening webinar! Watch the full webinar here:
Join us this Thursday for an exciting duo speaker AIMEDx Webinar, with Dr. Xiang Fu @xiangfu_ml and Dr. Luis Barroso-Luque from Meta @Meta. Title: A step change in MLIP performance: data diversity and architecture design .Registration now open: #AI4Science
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We are hiring! Join our group @VT_ChE at Virginia Tech as a postdoc to explore the frontiers of deep learning and atomistic simulations for complex materials. Apply:
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Join us this Thursday for an exciting duo speaker AIMEDx Webinar, with Dr. Xiang Fu @xiangfu_ml and Dr. Luis Barroso-Luque from Meta @Meta. Title: A step change in MLIP performance: data diversity and architecture design .Registration now open: #AI4Science
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Excited to have Linxiao @ChenCatalysisUA in town! Nerdy discussion about science, AI, Go, academic struggles, travel, life…. future is uncertain but still have hope
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A refreshing and inspiring morning read of this viewpoint on connecting scales in reaction engineering while waiting for the flight. Excited to contribute with my piece about multiscale modeling: informed by theory, enhanced by data.
As part of our March Focus issue, we asked 13 experts to discuss an opportunity in reaction engineering that holds particular promise for advancing this core area of chemical engineering research and practice. Here is what they said (free access):
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Excited to present at the GERA Energy Workshop! Huge thanks to BJ, @dpfenning, @Bertoni_ASU, and the entire organizing team for the invitation and all their efforts. Also, great to finally meet Karen and Carlo in person! Looking forward to an exciting week of science! @APSphysics
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The 2026 theme is "Autonomous Discovery Across Scales." From molecular design to industrial scale-up, we will explore how AI, automation, and data-driven approaches are accelerating breakthroughs across materials, energy, and chemical sciences. Excited for the discussions ahead!.
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Kicking off the 2026 Gordon Research Conference on AI for Materials, Energy, and Chemical Sciences (AIMECS), co-chaired with Sukrit Mukhopadhyay @DowNewsroom! . Join us to explore the growing impact of AI in science. @GordonConf #AI4Science #AIMECS2026.
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It was a fantatisc discussion about AI for materials discovery. Thanks again, @KeqiangY. Our recording is available at:
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Registration is now open for our next AIMEDx Webinar. Excited to host @KeqiangY. Speaker: Keqiang Yan (Texas A&M University).Title: AI for Materials Discovery: Graphs, Language Models, and Agents.📅 March 3, 2025 | 11:00 AM EST Register now: #AI4Science
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