The National Chemistry
Chemical Crystallography Symposium 2023
The HPC Lab
Our group works on the development of novel computational science algorithms designed for efficient execution on cutting-edge high-performance computing platforms. At the present moment, this includes, and is particularly relevant to, exascale systems.
We are particularly interested in devising simulation solutions that enable to push the edge of what is currently possible in science and innovation.
Targeting the algorithms that underpin computational science software, our research impacts a broad spectrum of application areas. Current application foci include computational chemistry, material science, machine learning and applied mathematics.