The LOBSTER School on Chemical Bonding Analysis took place at Aalto University, Finland on 12-14 March 2024 and gathered over 30 participants. The purpose of the School was to introduce the theory and practicalities, as well as recent developments on both, behind the LOBSTER code. LOBSTER is a popular code that allows the user to perform “electronic structure reconstruction” in terms of localized projections of plane-wave-based wavefunctions, allowing a quantitative interpretation of the nature of chemical bonding in solids.

The School was organized locally by Dr Miguel Caro, Dr Rina Ibragimova and Dora Javor at Aalto University, as well as by the LOBSTER team led by Prof Richard Dronskowski (RWTH Aachen University). The LOBSTER team that visited Aalto was formed by Prof Dronskowski, Dr David Schnieders and Peter Mueller (all from Aachen). They presented the theory behind bonding analysis and gave practical tutorials on running the code. The core LOBSTER team was joined at the School by Prof Janine George (Jena University) and Prof Volker Deringer (University of Oxford) who gave lectures on how LOBSTER has been applied in materials research problems to understand bonding in these materials.

The School was sponsored by the Finnish CECAM node, the Psi-K charity and Aalto University’s Department of Chemistry and Materials Science.

The schedule and full list of participants are given below.

Schedule

Participants

Note: these are the participants who agreed to have their details shared online.