7th bwHPC Symposium (8 November 2021)

7th bwHPC Symposium

Monday, 8 November 2021 - 08:45

Monday, 8 November 2021
08:45
08:45 - 09:15
Room: Zoom Online Event
Contributions

08:45 Opening of the conference room - Zoom login available - C. Mosch, F. Wagner
09:15
09:15 - 09:25
Room: Zoom Online Event
Contributions

09:15 Welcome session - conference starts at 9:15 AM - S. Wesner, B. Neumair
09:25
09:25 - 10:10
Room: Zoom Online Event
Contributions

09:25 Plenary Talk - Quantum Computing - W. P. Schleich
10:10 (Chair: J. Salk)
(Chair: J. Salk)
10:10 - 10:20
Room: Zoom Online Event
Contributions

10:10 bwHPC and bwHPC-S5 - R. Barthel, J. Salk
10:20 (Chair: A. Axtmann)
(Chair: A. Axtmann)
10:20 - 10:50
Room: Zoom Online Event
Contributions

10:20 bw2FDM + Science Data Centers (SDC) - A. Axtmann, H. Gauza, I. Schumm, V. Kushnarenko, M. Selzer
10:50 (Chair: J. Salk)
(Chair: J. Salk)
10:50 - 11:10
Room: Zoom Online Event
Contributions

10:50 NHR - support for science - D. Sternel
11:10

11:10 - 11:20
11:20 (Chair: J. Krüger)
(Chair: J. Krüger)
11:20 - 12:20
Room: Zoom Online Event
Contributions

11:20 Numerical Simulation of Tropospheric Ozone Depletion Events in the Arctic Spring - M. Herrmann, E. Gutheil

11:35 Calibrating the soil-crop multi-model library Expert-N on high performance computers - T. Weber

11:50 IllustrisTNG: Simulating the Universe - D. Nelson

12:05 Probing the nature of black holes with X-rays - S. Nampalliwar
12:20

12:20 - 13:00
13:00
13:00 - 13:30
Contributions

13:00 bwVisu - R. Schmoll (Heidelberg University)

13:00 Automated simulation of thermophysical properties of mixtures with OpenMM on HoreKa (breakout room presentation cancelled) - B. Schmitz (Stuttgart University)

13:00 A Computational Workflow for Interdisciplinary Deep Learning Projects utilizing bwHPC Infrastructure - M. P. Schilling (Karlsruhe Institute of Technology)

13:00 Quantum-mechanical study of photoinduced processes in Direct laser Writing - A. Mauri (Karlsruhe Institute of Technology)

13:00 Numerical validation of cutting simulations for complex heat exchangers using 3D reverse engineered surfaces - G. O. Mathlouthi (Ulm University of Applied Sciences)

13:00 Student Cluster Competition 2021 - S. Malheiros (Heidelberg University)

13:00 Estimating a Mixture Model for Multidimensional Forced-Choice Data - The Faking Mixture Model - S. Frick (Mannheim University)

13:00 Population genomic analysis of the rapid expansion of the fungal pathogen Setosphaeria turcica in Europe - F. Freund (Hohenheim University)

13:00 An assessment of quantum chemical tools for the analysis of host-guest interactions in COFs and MOFs - M. Ernst (Heidelberg University)

13:00 SDC4Lit - Science Data Center for Literature - N. Buck (HLRS Stuttgart)

13:00 forschungsdaten.info - A. Axtmann (Karlsruhe Institut of Technology)

13:00 Simulation of turbulent particle deposition in rough pipes using an Euler-Lagrange approach - K. Akermann (Ulm University of Applied Sciences)

13:00 Automated mapping of shrub individuals in S. Africa's Fynbos biome using drone imagery and deep learning - N. Allen (Hohenheim University)
13:30 (Chair: M. Thoss)
(Chair: M. Thoss)
13:30 - 14:15
Room: Zoom Online Event
Contributions

13:30 Quantum chemistry and machine learning in computational materials and interface chemistry - A. Groß

13:45 Multi-scale simulations of exciton and charge transfer processes in organic and biological materials - M. Elstner

14:00 Machine Learning meets Quantum Chemistry - F. Böckler
14:15 (Chair: M. Giffels)
(Chair: M. Giffels)
14:15 - 15:00
Room: Zoom Online Event
Contributions

14:15 Opportunistic extension of a local compute cluster with NEMO resources for HEP workflows - S. Kroboth

14:30 How to bring HTC data to HPC resources - A caching solution for the ATLAS computing environment in Freiburg - D. Sammel

14:45 dtool: lightweight research data management - J. L. Hörmann
15:00

15:00 - 15:30
15:30 (Chair: T. Nau)
(Chair: T. Nau)
15:30 - 16:15
Room: Zoom Online Event
Contributions

15:30 Improving Learning of Neural Networks for Classification, Segmentation, and Associative Memory - A. Knoblauch

15:45 Product Data Integration with Deep Learning - R. Peeters

16:00 High Performance Uncertainty Quantification with Parallelized Multilevel Markov Chain Monte Carlo - L. Seelinger
16:15 (Chair: A. Neueder)
(Chair: A. Neueder)
16:15 - 17:00
Room: Zoom Online Event
Contributions

16:15 Proteogenomic approaches applied to the study of cancer resistance and gut microbiome - N. Nalpas

16:30 Thermodiffusion molekularer Fluide: Bottom-Up-Simulationen hin zu komplexen Systemen - N. Zimmermann

16:45 Using cryo-electron microscopy to understand the structural basis of microtubule nucleation - E. Župa
17:00
17:00 - 17:15
Room: Zoom Online Event
Contributions

17:00 Farewell - S. Wesner, B. Neumair