We are on day 3 of the Flagship workshop "Quantum2 on machine learning enhanced sampling" in #CECAMHQ & online! Alexandre Tkatchenko, Bingqing Cheng & Lukas Petersen have opened today's exciting program. ➡️ cecam.org/workshop-detai…

Very happy about Emilio Mendez's best poster prize achievement in CECAM Quantum2 workshop! #proudPI Emilio's poster included some of our very first MAGNIFY project results 👀 European Research Council (ERC)

🚨NEW PREPRINT🚨 Peilin Kang and Enrico Trizio present a self-consistent method to: -Compute the committor based on a variational principle🎢 -Extensively sample the transition state ensemble🎯 -Extract physical insights from the results🔍 📜 arxiv.org/abs/2401.05279 IIT 🧵

The work on combining machine learning CVs with transition path sampling simulations is out in JCIM & JCTC Journals! Kudos to visiting PhD student Jintu Zhang! check it out here: pubs.acs.org/doi/full/10.10…

I am happy to share with you our new paper from my PhD. doi.org/10.1021/acs.jp… In this work, we present an alternative to the Strecker pathway for the formation of Glycine under prebiotic conditions

🚨Postdoc Opportunity in Scientific Machine Learning 🚨 Join us in designing cutting-edge learning algorithms for simulating physical systems! Focus on ML for dynamical systems. ELLIS IIT Details: ellis.eu/jobs/post-doc-… 🌟 #postdocposition #postdoc

At #NeurIPS2024 🇨🇦 our group will present 7 contributions! These span a diverse array of topics: from theoretical advances in stochastic processes and reinforcement learning to applications in molecular dynamics and uncertainty quantification.

Short anouncment: for all those into #numerical linear algebra and/or stats and/or #machinelearning and #AI in numerical #computations, checkout the conference I am co-organizing in #NoviSad in #Serbia. ala2025.pmf.uns.ac.rs

1/ 🚀 Over the past two years, our team, CSML, at IIT, has made significant strides in the data-driven modeling of dynamical systems. Curious about how we use advanced operator-based techniques to tackle real-world challenges? Let’s dive in! 🧵👇