11.10.2024
At the 27th Results and Review Workshop of the HLRS held at the Karlruhe Institute for Technology, we presented our work on „Saving Energy in Molecular Fluid Dynamics by Using Molecular-Continuum Simulations“.
05.06.2024
Our papers in the two corresponding projects have been accepted for presentation and publication at ISPDC 2024:
- SmartShip: Data Decoding Optimization for Onboard AI Anomaly Detection (SmartShip, dtec.bw)
- Towards Green HPC Job Outsourcing: Energy Models for Molecular Dynamics Simulations on Three Clusters (WindHPC, BMBF)
04.01.2024
Our paper „Morphology-Based Molecular Classification of Spinal Cord Ependymomas Using Deep Neural Networks“ has been accepted for publication in the journal Brain Pathology!
04.12.2023
Our paper „The Error-Energy Tradeoff in Molecular and Molecular-Continuum Fluid Simulations“ got accepted for publication and presentation at the MMCP workshop which is held in conjunction with HPC Asia 2024!
21.07.2023
The 12th Workshop on Parallel-in-time Integration (PinT), which we jointly organized together with Hamburg University of Technology (TUHH), supported by the dtec.bw project hpc.bw, took place this week at TUHH. The event successfully connected researchers from all over the world and promoted the exchange of ideas about novel PinT methods and software, enabling highly scalable applications for future HPC architectures.
We have presented a project poster on hpc.bw and our research poster “MaMiCo: A PinT Implementation for Molecular-Continuum Flow Simulation” on the workshop.
31.05.2023
Our paper „System Architecture for Real-time Condition Monitoring and Anomaly Detection on Ships“ has been accepted for presentation and publication at ISPDC 2023!
19.04.2023
Our paper „From Desktop to Supercomputer: Computational Fluid Dynamics Augmented by Molecular Dynamics using MaMiCo and preCICE“ has been accepted for publication and presentation at ISC HPC in the workshop „InteractiveHPC“.
04.04.2023
Our paper on „Convolutional Recurrent Autoencoder for Molecular-Continuum Coupling“ has just been accepted for presentation and publication at ICCS 2023!
10.03.2023
Our paper on „Robust Classification Using Average Correlations as Features (ACF)“ has just been accepted for publication in BMC Bioinformatics!
23.01.2023
Piet was selected for a DAAD scholarship and is going to a 10-week research visit to Prof. Zhen Li’s MuthComp Group at Clemson University (USA). We are aiming to investigate novel Parallel-In-Time methodology for coupled molecular-continuum simulations.
16.12.2022
Our paper on „On Linear Models for Discrete Operator Inference in Time Dependent Problems“ has just been accepted for publication in the Journal of Computational and Applied Mathematics!
08.12.2022
Our paper on „Fault Tolerance for Ensemble-based Molecular-Continuum Flow Simulations“ has just been accepted for presentation at HPC Asia 2023!
07.12.2022
Today, we officially opened our container-based HPC computing center (CBRZ) with supercomputer HSUper, with representatives from National HPC (NHR), the HPC BMBF project management (VDI) and various HPC research institutions in Hamburg visiting our campus and, of course, our computer HSUper.
08.11.2022
Two BMBF projects with the HPC group from HSU as consortium partner have received funding from 2022-2025. The project „WindHPC“ strives to explore energy efficiency on software side in terms of „How much energy does scientific insight cost?“ and on hardware side by combining classical HPC computing centers with second life cycle HPC clusters, which are hosted in wind power plants. The project „3xa“ develops scalable algorithms and software for particle simulations with three-body interactions, so that these complex systems become explorable on exascale systems. The HPC group looks very much forward to the exciting projects and collaborations!
27.10.2022
Our paper „MaMiCo 2.0: An enhanced open-source framework for high-performance molecular-continuum flow simulation“ has just been accepted for publication in SoftwareX.
19.09.2022
Jessica Kleinschmidt presented our project poster „hpc.bw: Competence Platform for Software Efficiency and Supercomputing“ at the section adult education of the DGfE and won the third place at the wbv poster price 2022.
20.06.2022
Our collaborative work with researchers from the University Medical Center Hamburg-Eppendorf (UKE) on a framework which can handle missing values and batch effect adjustment has just been published in Nature Communications!
01.06.2022
Our projects hpc.bw and SmartShip have been presented at the ISC HPC in Hamburg, where also the new TOP500 list was released. Our new cluster HSUper is ranked 339 wordwide by Linpack performance (2.13 PFlop/s) and ranked 70 by energy efficiency.
12.04.2022
Our paper „Towards Data-Driven Inference of Stencils for Discrete Differential Operators“ has been accepted for presentation at PASC 2022 and publication in the conference proceedings (ACM Digital Library).
28.03.2022
Philipp will present our work on „Robust Molecular-Continuum Flow Simulation at Exascale“ in talk at ESCO 2022. Our dtec.bw project MaST will also be represented with a poster.
22.03.2022
Two of our dtec.bw projects – hpc.bw and SmartShip – have been accepted for presentation at the ISC HPC in Hamburg. Looking forward to the congress!
15.02.2022
Our paper „MaMiCo: Non-local means and POD filtering with flexible data-flow for two-way coupled molecular-continuum HPC flow simulation“ has been accepted for publication in Journal of Computational Science.
21.12.2021
Our minisymposium on „Inference of Efficient Discrete Differential Operators“ has been accepted to be hosted by the conference SIAM Parallel Processing 2022.
12.12.2021
Our joint paper with colleagues from the Technical University of Munich on „N Ways to Simulate Short-Range Particle Systems: Automated Algorithm Selection with the Node-Level Library AutoPas“ has been accepted for publication in Computer Physics Communications.
24.11.2021
Our paper „Transient Two-way Molecular-Continuum Coupling with OpenFOAM and MaMiCo: A sensitivity study“ has been accepted for publication in MDPI Computation.
15.10.2021
Our paper on „Massively Parallel Molecular-Continuum Flow Simulation with Error Control and Dynamic Ensemble Handling“ has been accepted for publication and presentation at HPC Asia 2022.
15.10.2021
Our group together with the colleagues from the Technical University of Munich has been granted access to the TOP1 supercomputer Fugaku in Japan. This will allow us to carry out unprecedented molecular-continuum and MD simulations. We thank the reviewers and the HPCI staff for the review and the trust in our research – looking forward to squeezing out performance from ARM @Large Scale! 🙂
19.05.2021
The DFG supports the collaborative project development ls1 mardyn, a high performance software for molecular dynamics simulation in process engineering. The corresponding software sustainability project is entitled „SuMo: Sustainability for Molecular Simulation in Process Engineering“. Find out more about ls1 mardyn on github and its website.
11.05.2021
Two of our projects have been accepted for presentation at ISC HPC 2021 in the project poster track:
- hpc.bw: Competence Platform for Software Efficiency and Supercomputing (dtec.bw)
- Resilience and Dynamic Noise Reduction at Exascale for Multiscale Simulation Coupling (IFF)
Looking forward to the digital event!
18.03.2021
Our paper on „Non-Local Means Filtering with Flexible Data-Flow for Coupling MD and CFD“ has been accepted for presentation at ICCS 2021. Due to Corona, the session will be organized online.
17.-19.03.2021
Philipp and Fabio Gratl/TUM jointly present collaborative work and concepts on auto-tuning, load balancing and molecular-continuum ensemble simulations at a CECAM workshop on „Simulation Workflows in Materials Modelling (SWIMM 2021)“.
29.01.2021
Helene gave an online talk on „Transient Two-way Molecular-Continuum Coupling with OpenFOAM and MaMiCo“ as part of the GAMM Activity Group Computational Science and Engineering (CSE) workshop.
22.01.2021
Philipp just gave an online talk on „Molecular-Continuum Flow Simulation in the Exascale and Big Data Era“ at the MMCP workshop, held in conjunction with the HPC in Asia conference.
11.01.2021
A paper with our colleagues from TUM on massively parallel load balancing and auto-tuning for molecular dynamics simulations has just been accepted for publication in the Journal of Computational Science.
15.12.2020
Philipp gives an invited (online) talk at the university of Stuttgart on „Auto-Tuning and Load Balancing in Short-Range Molecular Dynamics“. The work covered in the talk mostly arose from a collaboration with the chair of scientific computing in computer science, Technical University of Munich, in the scope of the BMBF project „Task-Based Load Balancing and Auto-Tuning in Particle Simulations“ (TaLPas).
11.12.2020
Philipp accepted an invitation to the steering committee of the International Symposium on Parallel and Distributed Computing (ISPDC). The ISPDC brings together researchers who advance the state of the art in the field of Parallel and Distributed Computing paradigms and applications.
06.10.2020
Dr. Nikola Tchipev, who has been supervised by Philipp and Prof. Bungartz/TUM, has received a prestigious John Atanassov award (runner-up) from the Bulgarian president for his PhD thesis, honoring his achievements in terms of the establishment of a 20 trillion atom world-record molecular dynamics simulation. Feel free to check out a video of the ceremony (Bulgarian language only). Congratulations and greets from Hamburg, Nikola!
23.06.2020
ISC HPC 2020 takes place in digital format this year. Philipp chairs the project poster track together with co-chair Erwan Raffin (Atos/Bull) and presents the project TaLPas.
27.05.2020
Our proposal „Resilience and Dynamic Noise Reduction at Exascale for Multiscale Simulation Coupling“ has been selected as IFF project and will investigate approaches to control errors at various levels in molecular-continuum flow simulations.
27.03.2020
Piet helps out at the OpenLab; HPC=High Production against Corona!
25.03.2020
Our paper on „Open Boundary Modeling in Molecular Dynamics with Machine Learning“ has been accepted for presentation at ICCS 2020. Due to Corona, the session will be organized online.
14.02.2020
Piet Jarmatz gives a talk „MaMiCo: Scalable Coupling of Particle Ensembles to Transient Continuum Flow Simulations“ at SIAM PP 2020 in Seattle, Washington.
10.01.2020
We are hiring and look for a HPC system administrator/support staff. Please check out the description here. Application deadline is 01.03.2020.
16.12.2019
Benjamin Uekermann from TU Eindhoven will give an invited presentation at HSU, Aula/Room2, on 25 Feb, 14:00. The topic of the talk will be „Coupling Simulations with preCICE“.
12.12.2019
Philipp gives an invited talk at TU Hamburg, click here for an overview of TUHH talks.
10/12/2019
Philipp has just joined the program committee of the multiscale modelling and simulation workshop at ICCS 2020.
06/12/2019
Philipp receives the habilitation award from Bund der Freunde der Technischen Universität München for his habilitation thesis entitled „Algorithms and HPC Software for Molecular-Continuum Flow Simulation“.
21/11/2019
We are hiring, please check out the job description here. Application deadline: 18 Dec 2019.
22-23/10/2019
Here we go, SPPEXA Thesis Award!
08/10/2019
Piet Jarmatz receives the SPPEXA Thesis Award for his Master’s Thesis entitled „Parallel Noise Reduction for Transient Molecular-Continuum Coupled Flow Simulations“. Congratulations!
30/09/2019
A paper on DYAMOND, an intercomparison project for storm-resolving weather/climate models, has been published today; Philipp had contributed to this project in terms of carrying out some of the high-resolution experiments and managing access to the „big model data“, which has just exceeded 1.2 PB!
01/09/2019
Our joint proposal „Advanced Simulation Methodology for Optimizing Aerodynamic Lenses used for Single-Particle Diffractive Imaging“ with Prof. Breuer/HSU, Prof. Küpper/CFEL,DESY,UHH, Dr. Amin/CFEL,DESY has been selected for funding in the scope of the Data Science in Hamburg Helmholtz Graduate School for the Structure of Matter. Check out its description and apply for the corresponding PhD position here.
21/08/2019
Double feature upcoming: Philipp will give two talks at the SPPEXA Final Symposium, 21-23 Oct, in Dresden in the sessions AIMES and ExaFSA.
20/08/2019
We are hiring! Open positions (TVöD E-13) are available. Application deadline: 20.09.2019.
01/08/2019
Philipp has accepted to join the Minisymposia and Poster Program Committee, track Climate and Weather, at PASC 2020.
28/06/2019
Our paper entitled „Sparse Grid Regression for Performance Prediction Using High-Dimensional Run Time Data“ was accepted for presentation at Euro-Par 2019: Parallel Processing Workshops.
18/03/2019
Our paper entitled „MaMiCo: Parallel Noise Reduction for Multi-Instance Molecular-Continuum Flow Simulation“ was accepted for presentation at ICCS 2019.
Letzte Änderung: 11. Oktober 2024