8th bwHPC Symposium

Session

Poster session

Nov 28, 2022, 1:30 PM

Zoom Online Event, HLRS

147. Application of high-performance computing in battery development showcased for electrolyte filling

Benjamin Kellers

11/28/22, 1:30 PM

A workflow for battery performance optimization is presented that couples wetting and flow simulations based on pore network models (PNM) and the lattice Boltzmann method (LBM) with electrochemical simulations using the tool BEST. All software packages included show an appropriate scaling behavior on high-performance computing (HPC) clusters. Electrolyte filling of battery components is...

149. bwForCluster Helix

Dr Sabine Richling

11/28/22, 1:30 PM

We present the structure of bwForCluster Helix and possible use cases.

153. bwForCluster JUSTUS 2

Jürgen Salk

11/28/22, 1:30 PM

The bwForCluster JUSTUS 2 is part of the implementation concept for high performance computing in the state of Baden-Württemberg (bwHPC) and is statewide available to all researchers in the fields of "Computational Chemistry and Quantum Sciences". The technical features of JUSTUS 2 were adapted exactly to this intended purpose in order to
achieve high efficiency of the HPC applications for...

150. bwHPC - Kompetenzzentrum Ingenieurswissenschaften

Prof. Rainer Stauch

11/28/22, 1:30 PM

A poster is presented showing the key facts of bwHPC and its application in the field of engineering. The objective of the poster is the recruiting of new users for the bwHPC hardware at the different university locations. It should help new users to get an easy access to the bwHPC infrastructure. The poster illustrates steps to the initial simulation on the cluster, points out ways of support...

146. bwHPC-S5

Robert Barthel

11/28/22, 1:30 PM

Both, poster and presentation, outline the current status of the user support project bwHPC-S5 for HPC, DIC and LS2DM in the state of Baden-Württemberg, Germany.

The state-wide project bwHPC-S5 provides federated support for the bwHPC users and coordinates all associated provisions, including development of policies and services. As the connecting body between scientists and HPC systems,...

152. Competence Center Global System Science (GSS)

Kilian Türk

11/28/22, 1:30 PM

Poster on recent projects carried out in the field of Global System Science. Project topics include COVID-19, Climate and Weather, Digital Twin, Heavy Rain Simulation.

148. Influence of Charged Residues on the Membrane Insertion of Gasdermin-A3

Viktoria Korn

11/28/22, 1:30 PM

Gasdermins (GSDMs) execute a form of programmatory cell death, pyroptosis, by forming medium-sized membrane pores. GSDMA3, a variant native to mice, is involved in asthma, systemic sclerosis, alopecia, and inflammatory bowel disease. The exact pathway of GSDMs' pore formation remains a mystery, so we investigated the influence of charged amino acid residues on GSDMA3's membrane insertion...

151. Smallholder adaptation through agroforestry: Agent-based simulation of climate variability in Ethiopia

Dr Habtamu Demilew Yismaw

11/28/22, 1:30 PM

145. Theoretical Investigation of the Reducibility of PtOx single atom catalysts supported on Ceria (111), (110) and (100)

Sarah Bernart

11/28/22, 1:30 PM

Internal combustion engines use highly dispersed noble metals such as Pt, Pd and Rh as catalytic active substances and oxides such as ceria, titania and alumina as carriers for exhaust gas after-treatment. The identification of the active species is exacerbated by the fact that catalysts undergo a dynamic structural change under reaction conditions.

SACs are on the very boundary between...

154. Using AnnoTree to Get More Assignments, Faster, in DIAMOND+MEGAN Microbiome Analysis

Anupam Gautam

11/28/22, 1:30 PM

In microbiome analysis, one main approach is to align metagenomic sequencing reads against a protein reference database, such as NCBI-nr, and then to perform taxonomic and functional binning based on the alignments. This approach is embodied, for example, in the standard DIAMOND+MEGAN analysis pipeline, which first aligns reads against NCBI-nr using DIAMOND and then performs taxonomic and...