FHI-aims Developers' and Users' Meeting

Virtual Meeting - Registration Closed
Start: Jun 22, 2020 02:00 PM (Local Time Germany)
End: Jun 25, 2020 05:15 PM
Host: Matthias Scheffler
Contact: fhi-aims-2020@fhi-lists.de

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 workshop brings together key players from the FHI-aims code and related European and international efforts to highlight, discuss, and advance the state of the art of NAO-based modeling of molecules and materials based on the first principles of quantum mechanics. The workshop will cover three days and 24 invited talks, as well as a poster session. Time will be reserved in the afternoons for “Hands-On Discussions”, providing dedicated time for the participants to split up into small groups to focus on topics of specific interest ranging from methodological improvements all the way to code development questions related to specific subgroups of participants and joint programming sessions.

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

PROGRAM

For more information, please visit the conference website.

Please note that the registration for this event is closed.