#ICIQPhD 🎓 Moltes felicitats, Dra. Andrea Ruiz-Ferrando from Prof. Núria López's group 📚 Today Andrea has defended her thesis on single-atom catalysis, revealing fundamental mechanisms and potential applications in catalysis and nanotechnology. About her 🔗iciq.org/moltes-felicit…

Finally, would I trust an LLM with my expensive experiment? Absolutely not. ❌ Would I trust a GP? Yes. ✅ LLM optimized through a GP? Absolutely YES. 💯💯💯 We offer a principled path to using LLMs for real-world optimization — under uncertainty, under low data, under control.

Hello from Singapore 🇸🇬! Thrilled to be at #ICLR2025 presenting our work on fragment-based drug discovery 🧩. We go beyond virtual screening with a generative, structure-aware approach. 📃 openreview.net/forum?id=bZW1H… 🔗 github.com/rneeser/Latent… A thread 🧵👇

Thrilled to present our new work on Reinforcement Learning for 3D Crystal Diffusion Generation in #AI4Mat at #ICLR2025 ! We show that RL can optimize diffusion models for goal-directed crystal generation. Thanks to Philippe Schwaller (he/him) and LIAC at EPFL ! openreview.net/forum?id=Ovxfr…

Learn how to render multiple molecules from a single multi-frame .xyz file in Blender! 🧪 Hands-on session recording from the AIChemist School: bridging explainable AI and chemistry. LIAC at EPFL Watch here: youtube.com/watch?v=aqolcc… More info: github.com/schwallergroup…

There is a lot of passion, knowledge, and experience that Zlatko Jončev Andrés M Bran bring, and it is well reflected in the video! Congrats on the launch!