Converging calculations is a common need in the ab initio materials-science community.
This tedious and resource-intensive process can be largely avoided if well-validated
recommendations are available. In order to create a recommender system to assist
users, benchmark data are required. This project addresses this need. It evaluates the
convergence behavior of electronic properties for a dataset of 10 materials that are
promising for optoelectronic applications.

As multimodal communication analysis continues to evolve, high-performance computing (HPC) is playing a transformative role in enabling large-scale annotation and data processing. In the context of the DFG/AHRC-funded research project World Futures Multimodal Viewpoint Construction by Russian International Media a research team led by Anna Wilson (University of Oxford) and Peter Uhrig (FAU Erlangen-Nürnberg) has developed an innovative framework for automating speech, text, and gesture annotation. This interdisciplinary effort leverages state-of-the-art AI techniques, supported by the scalable HPC infrastructure provided by the Erlangen National High-Performance Computing Centre (NHR@FAU) in the project Pose Estimation on Russian

Getting the signal across:
A crucial part of cellular physiology is the ability to transmit a variety of stimuli from outside the cell into the cell, triggering the right cellular response to the right stimuli. G-protein-coupled receptors (GPCRs) are a superfamily of proteins evolved precisely for this. Embedded on the cellular membrane, they sense the outside world and couple to G proteins on the inside of the cell. Combining molecular simulation with state-of-the-art biophysical and biochemical experiments we can know, with atomic precision, how this signal gets passed along, and the “routes” that it goes through, opening the possibility for better and newer drug development.

In this study flows over and through modelled aquatic plant canopies are investigated to better understand the interaction between the outer flow and the interior of the canopy. This is relevant for the resistance exerted by the canopy and the exchange of oxygen, pollutants, etc. between flow and canopy. Here, very detailed numerical simulations are conducted to resolve the canopy with all individual blades with an unprecedented detail. The configurations studied are densely arranged, highly flexible ribbons, which overall represent a situation very close to real seagrass meadows, much closer than in other studies. Unexpected, for example, is the observation that the blades move quite far up-wards and even further in horizontal direction.