Electronic structure theory (for total energies, forces, neutral and charged excitations, dynamics and transport, etc.) has reached a level where quantitative analyses and predictions of hitherto unknown properties and functions of materials are possible – including bulk materials, isolated molecules, surfaces, nanostructures, clusters, liquids, (bio)molecules in their environment, and more. Finding better or even novel functional materials is critical for nearly every aspect of our society. Key issues are, for example, the “energy challenge” and “managing the environment”.
This ten-day Hands-on Summer School introduces the basics of electronic-structure theory and teaches how actual calculations are performed. Morning lectures on the most important topics will be given by internationally renowned experts. In the afternoon (and evening) the participants will put this knowledge into practice. We will also discuss recent developments towards the “Materials Genome”, and how to treat large amounts of data.
Christian Carbogno (Fritz-Haber-Institut der Max-Planck-Gesellschaft)
Matthias Scheffler (Fritz-Haber-Institut der Max-Planck-Gesellschaft)