Crystal structure prediction (CSP) of organic molecules is a critical task, especially in pharmaceuticals and materials ...

Prediction of crystal structures of organic molecules is a critical task in many industries, especially in pharmaceuticals ...

Obtaining a solution to the many-electron Schrödinger equation stands as one of the grand challenges in chemistry and physics. Highly accurate solutions are achievable for relatively small systems ...

The Max Planck Institute for Multidisciplinary Sciences is a leading international research institute of exceptional scientific breadth. With more than 40 research groups and some 1,000 employees from ...