• Winter group event

    To welcome Eduard who's a visitor for three months, we got together to rescue the world by stopping an asteroid headed to earth in the Armageddon escape room at Lockhouse. Before that we had a nice group dinner.Welcome Eduard!

  • Insight into Aqueous Phase

    Understanding complex aqueous systems Water remains the most fascinating liquid in our world. It is not only the “elixir of life”, but its understanding is also crucial to tackle some of the most pressing societal challenges of our time, such as climate change, ocean accidification, and clean water supply. In our research, we follow...

  • Towards Converged Interactions

    Reaching Coupled Cluster Accuracy The potential energy surface (PES) of a system, which governs all its structural, dynamic and thermodynamic properties in the Born-Oppenheimer approximation, is currently in many cases best described by coupled cluster theory. This has granted the CCDS(T) approach the title of the “gold standard” in quantum chemistry. Thus, it...

  • Machine Learning Potentials

    Learning structure-energy relations Machine learning in computational chemistry has emerged as an indispensable driving force for innovation. By combining the low cost of traditional empirical potentials with the accuracy of ab initio methods, machine learning potentials deliver long time and large length scales required for insight into complex molecular systems. Instead of physically...

  • n-AQUA meeting in Venice

    As part of our parent ICE-group we had a great time in Venice full of insightful discussions, excellent science and exciting future potential collaborations! This trip has been the initial meeting of the n-AQUA project, jointly awarded to Angelos Michaelides, Mischa Bonn, and Lyderic Bocquet, which we have the honor to contribute...

  • Seasonal greetings

    ...with this nice video from the Royal Institution. Great to feature as scientific consultant on this topic close to our scientific passion. https://youtu.be/nJ6LY8dX1r4

  • TYC Early Career Award

    Very honored to receive the first TYC Early Career Award for our work on understanding complex aqueous systems with machine learning.

  • Nature paper on monolayer confined water

    Our ICE group paper on the phase behavior of monolayer nanoconfined water is finally out in Nature. Amazing lead by Venkat Kapil, but not possible without the other collaborators!