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FHI-aims Developers' and Users' Meetin ... (No replies)

seko
5 years ago
seko 5 years ago

Dear colleagues,

We are pleased to announce that the registration has opened for the three-days meeting:

ELECTRONIC STRUCTURE THEORY WITH NUMERIC ATOM-CENTERED BASIS FUNCTION:
FHI-aims Developers' and Users' Meeting
Humboldt University of Berlin, Germany
from June 22 to 24, 2020

https://th.fhi-berlin.mpg.de/meetings/FHI-aims-2020

This workshop focuses on methods that leverage localized, numeric atom-centered orbital (NAO) basis functions, a choice upon which a number of the strongest available electronic structure developments are founded. The proposed meeting brings together key players from the FHI-aims code to highlight, discuss, and advance the state of the art of NAO-based modeling of molecules and materials.

Topics covered are new developments in electronic structure theory with numeric atom-centered orbitals - including, but not limited to:

• Numerical algorithms and new methods for NAOs
• Python-based frameworks
• Technical advances in and scalability of electronic structure methods
• From Molecules to Crystals – Approaches for Complex Interface Modelling and Crystal structure Prediction
• External libraries interfacing with FHI-aims
• Recent developments in advanced electronic properties


Please visit our web page for further details and registration:
https://th.fhi-berlin.mpg.de/meetings/FHI-aims-2020


Note that we can only accept a limited number of about 30 participants — first come first served.

We are looking forward to meeting you in Berlin!

The organizers
(Volker Blum, Sebastian Kokott, Karsten Reuter, Matthias Scheffler)



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