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3rd LOBSTER CHEMICAL-BONDING SCHOOL (No replies)

drons
6 years ago
drons 6 years ago

The 3rd LOBSTER school on explicit chemical-bonding analysis of materials from high-performance first-principles simulations will be held at the JAIST, Nomi, Japan, between August 5–7, 2019.     

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 Ertural from RWTH Aachen University, by Volker L. Deringer from the University of Cambridge, by Ryo Maezono and Kenta Hongao from JAIST, and by Takafumi Yamamoto from the Tokyo Institute of Technology.

The school is free of charge, and the selected participants are encouraged to give a poster presentation. If interested, please go to

https://forms.gle/UGxhx7ebHRsKWc9e7

to find more information. You may also directly apply for the school, deadline: May 24, 2019.

Come and join us in Nomi, Japan!




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Ab initio (from electronic structure) calculation of complex processes in materials