Lixue Cheng
@SherryLixueC
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Chemistry @HKUST; Prev: PhD @Caltech w/ Dr. Tom Miller; #MOBML #AI4Sci @MSFTResearch; Wife of @sunjiace; WeChat: bbmm_s_cat
Hong Kong
Joined August 2017
A personal info update! I just left Microsoft Research AI for Science Lab @MSFTResearch , where is a terrific place to work. I’ll join HKUST @hkust Department of Chemistry this winter as an AP. Aim to recruit PhDs & postdocs 2026 Spring. Visiting students can start anytime
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big congrats! please check out Chai Discovery's new progress!.
Thrilled to share that Chai has raised its Series A! Read more about our funding news at:
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🔊AI for Chemistry lab @hkust is hiring: We would like to seek talents who are interested in AI for science at from electrons to materials/biomolecules (diff scales), and from physics-driven to data-driven methods (diff perspectives) plz see:
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😊Excited to officially be a member @hkust Department of Chemistry as an Assistant Professor! Day 1 of being back to academia. Looking forward to continuously making my contribution to #AI4Science and Computational/Theoretical Chemistry! Group site:
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Please join us on this dataset track in Neurips 2025 AI for Science workshop.
Pitch the dataset that could spark the next AI for Science revolution 🚀.The PDB revolutionized structural biology (and even helped win a🏅Nobel Prize in 2024). We’re hunting for the next breakthrough dataset that could unlock similar leaps across science—and we want your idea!
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Excited to see our AI for science workshop is back to NeurIPS 2025! Please check out our website and participate in our activities! Hope to see you @ San Diego.
AI for Science will be returning to @NeurIPSConf 2025! We aim to bring together scientists and AI researchers to discuss the reach and limits of AI for Scientific Discovery 🚀. 📖 Workshop submission deadline: Aug 22.💡 Dataset proposal competition: more details coming soon
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Congrats to the team :).
Thanks to the @googleaidevs team for featuring 𝐎𝐖𝐋🦉. Exciting to see OWL in action with Gemini 2.5 Pro for automating complex tasks.
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RT @FrankNoeBerlin: BioEmu now published in @ScienceMagazine !! . What is BioEmu? Check out this video: .
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RT @sunjiace: Excited to share this news that "Stabilizer ground states for simulating quantum many-body physics: theory, algorithms, and a….
quantum-journal.org
Jiace Sun, Lixue Cheng, and Shi-Xin Zhang, Quantum 9, 1782 (2025). Stabilizer states, which are also known as the Clifford states, have been commonly utilized in quantum information, quantum error...
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wow! congrats to @KexinHuang5 and the team on this cool tool!.
🧬 Excited to open-source Biomni! With just a few lines of code, you can now automate biomedical research with AI agent!. We are releasing Biomni A1 (agent) + E1 (env) with 150 specialized tools, 59 databases, and 105 software. E1 is our first attempt at curating the bio-agent
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🥳excited to see our, Orbformer, a wavefunction foundation model trained on the 2nd row elements, is released. By using pretaining-finetuning, one can compute multiref systems fast & accurately. Please check out the series of posts from Adam 😊.
I am very happy to share Orbformer, a foundation model for wavefunctions using deep QMC that offers a route to tackle strongly correlated quantum states!
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I love our org and this company. It is a hard time even for me, a "new alumni", to digest recent news. My heart is with all my friends ❤️❤️❤️ #Microsoft.
Microsoft just laid of 3% of it's workforce or ~7000 employees. At $200k/person, that's shedding $1.4B/yr. CS college graduates can't find jobs anyway, and it's getting worse.
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RT @BiologyAIDaily: MolTextNet: A Two-Million Molecule-Text Dataset for Multimodal Molecular Learning. １．MolTextNet introduces a dataset of….
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lab GitHub: still under construction. website will be online soon (writing it now). Any students who have interests plz reach me out at sherrylixuecheng@gmail.com. Welcome high school students & junior undergrads. Have some ideas for u too.
github.com
Hello world, welcome to the official Github home of AI4Chemistry lab @ HKUST. Still under construction. More updates will arrive soon - AI4Chemistry Lab @ HKUST
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We will focus on develop and apply useful tools for AI4Chem (mostly electronic structure, but not only). Build open-source & reliable protocols for both comp & exp chemists. Will be a group actively seeking collabs from all different venues. Plz consider us ;).
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Want to thank the entire lab and my colleagues! Appreciate all the support from my current managers @FrankNoeBerlin and Dr. Jan Hermann. Special thanks to my teammates @AdamEFoster, Zeno Schatzle, Bernat Szabo. Stay tuned for big news🗞️.
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RT @KexinHuang5: 📢 Introducing Biomni - the first general-purpose biomedical AI agent. Biomni is built on the first unified environment fo….
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A late retweet.(Sry just back to Twitter) Plz checkout this excellent work! Big congrats to everyone.
Simulating full quantum mechanical ground- and excited state surfaces with deep quantum Monte Carlo by Zeno Schätzle, Bernat Szabo and Alice Cuzzocrea. 🧵⬇️
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RT @fiberleif: Check out our latest work on DNA language modeling 🧬: HybriDNA, a hybrid Transformer-Mamba2 model crafted to address the uni….
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🎉Excited to see NERD is published on @JChemPhys .Appreciate all the suggestions from reviewers and the supports from @MSFTResearch leaders and JCP editor office!.
🥳Happy to share our work on extracting extremely accurate electron densities (and many related properties) from wavefunctions. Feel honored to work with all these talented colleagues in @MSFTResearch AI for Science Lab.
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