Welcome to the FAST group!

We are a group of computational scientists fascinated by the study of challenging materials, mostly involving water, by means of computational methods. In recent time, we primarily focus on developing machine learning potentials in order to provide insight into complex aqueous systems, for which accurate and efficient representations of potential energy surfaces are urgently needed.

Our research portfolio comprises the following techniques:

  • Machine Learning Potentials, Neural Network Potentials, Active Learning
  • Ab Initio Molecular Dynamics, Density Functional Theory
  • Nuclear Quantum Effects, Path Integral Molecular Dynamics and Monte Carlo, Bosonic Exchange
  • Reaching Coupled Cluster Accuracy

Find out more about our research under Research.


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...

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...

Seasonal greetings

…with this nice video from the Royal Institution. Great to feature as scientific consultant on this topic close to our scientific passion.

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.