The 2nd LOBSTER school on explicit chemical-bonding analysis of materials from high-performance first-principles simulations will be held at Xi’an Jiatong University, Xi’an, China, between September 10–12, 2018.     

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 DFT using plane waves, but understanding the often incredibly complex results frequently benefits from a thorough chemical-bonding analysis using local orbitals, that is, Crystal Orbital Hamilton Populations, COHP. The school will teach the participants how to carry out chemical-bonding analysis in general. In particular, the LOBSTER computer program (www.cohp.de) will be introduced, which is 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. The entire event will be headed by Richard Dronskowski, Bernhard Eck, Ryky Nelson and Christina Zitlau from RWTH Aachen University, Germany, Volker L. Deringer from the University of Cambridge, UK, and Wei Zhang from Xi’an Jiaotong University, China.

This tutorial school is free of charge, and the selected participants are encouraged to give a poster presentation. For interested participants, please send an email to [email protected] and provide the following information: Name / Affiliation / Country / Email address / Field of Research (max. 600 characters) / Motivation (max. 3000 characters). Please note that the deadline for registration is August 19, 2018.

For additional information, please visit the following website:

http://mse-en.xjtu.edu.cn/lobster

Join us in Xi’an!