Kassel research team enables quantum calculations for large-scale biological systems

In order to understand molecules down to the level of individual electrons, researchers need quantum mechanical simulations. Until now, such calculations have been considered extremely computationally intensive and were usually limited to systems with a few thousand atoms. A research team at the University of Kassel has now developed a method that enables calculations with several million atoms. The new approach considerably expands the possibilities in biophysics and at the same time significantly reduces the computing time and energy required.