The need to understand why a particular material is stable or not is of paramount importance for computational materials science. Today, most computations are clearly dominated by high-performance density-functional theory (DFT) using plane waves, but understanding the often incredibly complex results frequently benefits by a thorough chemical-bonding analysis using local orbitals. In the school, we will teach how to carry out chemical-bonding analysis in general. In particular, we will utilize the newly developed computer program LOBSTER, which has been designed to suit the needs of high-performance materials simulations by being able to process output from VASP, ABINIT and Quantum ESPRESSO. The school is targeted at researchers from various fields of computational science such as chemistry, physics, and materials science.
Starts 25 Sep 2017 09:00
Ends 29 Sep 2017 14:00
Lecture Room + Computer Room 1
  • Prof. Dronskowski
  • Prof. Miller
  • Prof. Tchougreeff
  • Dr. Deringer
  • Dr. Esser
  • Mr. Maintz
  • Dr. Nelson
  • Dr. Plekhanov
We apologize for not being able to provide any financial support for travel and accommodation. For accommodation we recommend the following hotels: Stadthotel Baierstraße 1, 52428 Jülich Phone: +49 2461 931190 Hotel Kaiserhof Bahnhofstraße 5, 52428 Jülich Phone: +49 2461 68070 JUFA Rurauenstraße 13, 52428 Jülich Phone: +49 2461 9966670 We are planning to organize a shuttle for the daily transport from these hotels to the JSC and back.