• Loxodynamics paper published on Nature Communications

    We are pleased to announce our latest publication in Nature Communications, where we introduce Loxodynamics, a machine-learning-driven approach for the autonomous discovery of chemical reactions in complex catalytic systems. By leveraging the skewness of probability distributions, the method identifies reaction pathways without prior knowledge, enabling efficient exploration of reactive landscapes under realistic conditions. https://www.nature.com/articles/s41467-026-69586-8

  • Ali joins the group!

    Dr. Ali Ghiami-Shomami has recently joined the group. He will work on a zeolites gas separation projection funded by ENI.

  • New preprint out – Introducing Loxodynamics

    A new method, Loxodynamics, for the exploration of chemical and catalytic reactions is out on ChemrXiv!

  • FESTA method on the cover of JCIM

    Our FESTA method has been selected for the cover of the last issue of JCIM!

  • FESTA Article out

    The article about the FESTA method is out on JCIM!