"Autonomous Materials Thermodynamics – AutoMaT" – Rico Friedrich's Lab

Any technology relies on a specific materials platform. As such, information technology is based on silicon and modern batteries are made of lithium compounds. The "Autonomous Materials Thermodynamics - AutoMaT" lab focuses on the self-guided, data-driven computational design of two-dimensional (2D) materials and high-entropy compounds for applications in information technology and the energy sector.

We leverage and develop state-of-the-art computational materials science methods and target three main research directions:

• The discovery and design of 2D non-van der Waals materials - an emerging class of nanoscale compounds with qualitatively new electronic and magnetic features.
• The data-driven modelling and prediction of novel high-entropy ceramics based on maximizing entropy instead of minimizing enthalpy.
• Computational method development for the accurate description of ionic materials as provided by the coordination corrected enthalpies method.

The DRESDEN-concept Research Group AutoMaT is jointly run by the Chair of Theoretical Chemistry at TU Dresden and the Helmholtz-Zentrum Dresden-Rossendorf. DRESDEN-concept is the research alliance of TU Dresden and the Dresden-based non-university research as well as cultural institutions.