@inproceedings{63890,
abstract = {{The computation of highly contracted electron repulsion integrals (ERIs) is essential to achieve quantum accuracy in atomistic simulations based on quantum mechanics. Its growing computational demands make energy efficiency a critical concern. Recent studies demonstrate FPGAs’ superior performance and energy efficiency for computing primitive ERIs, but the computation of highly contracted ERIs introduces significant algorithmic complexity and new design challenges for FPGA acceleration.In this work, we present SORCERI, the first streaming overlay acceleration for highly contracted ERI computations on FPGAs. SORCERI introduces a novel streaming Rys computing unit to calculate roots and weights of Rys polynomials on-chip, and a streaming contraction unit for the contraction of primitive ERIs. This shifts the design bottleneck from limited CPU-FPGA communication bandwidth to available FPGA computation resources. To address practical deployment challenges for a large number of quartet classes, we design three streaming overlays, together with an efficient memory transpose optimization, to cover the 21 most commonly used quartet classes in realistic atomistic simulations. To address the new computation constraints, we use flexible calculation stages with a free-running streaming architecture to achieve high DSP utilization and good timing closure.Experiments demonstrate that SORCERI achieves an average 5.96x, 1.99x, and 1.16x better performance per watt than libint on a 64-core AMD EPYC 7713 CPU, libintx on an Nvidia A40 GPU, and SERI, the prior best-performing FPGA design for primitive ERIs. Furthermore, SORCERI reaches a peak throughput of 44.11 GERIS (109 ERIs per second) that is 1.52x, 1.13x, and 1.93x greater than libint, libintx and SERI, respectively. SORCERI will be released soon at https://github.com/SFU-HiAccel/SORCERI.}},
author = {{Stachura, Philip and Wu, Xin and Plessl, Christian and Fang, Zhenman}},
booktitle = {{Proceedings of the 2026 ACM/SIGDA International Symposium on Field Programmable Gate Arrays (FPGA '26)}},
isbn = {{9798400720796}},
keywords = {{electron repulsion integrals, quantum chemistry, atomistic simulation, overlay architecture, fpga acceleration}},
pages = {{224--234}},
publisher = {{Association for Computing Machinery}},
title = {{{SORCERI: Streaming Overlay Acceleration for Highly Contracted Electron Repulsion Integral Computations in Quantum Chemistry}}},
doi = {{10.1145/3748173.3779198}},
year = {{2026}},
}
@article{64916,
abstract = {{The joining of dissimilar materials, such as steel and aluminum, entails significant challenges during thermal curing processes due to differing coefficients of thermal expansion. This study addresses the formation of “viscous fingering” instabilities in structural adhesive joints, which are induced by thermally driven relative displacements during the liquid phase of the adhesive. Using a component-like specimen “bridge specimen,” the dependency of this phenomenon on process temperature and structural stiffness (rivet distance) was characterized. Experimental results reveal that while the relative displacement scales cubically with the free buckling length, the resulting adhesive area reduction follows an exponential trend, leading to a loss of effective bond area of up to 79%, which significantly compromises the joint strength in automotive applications. To predict these process-induced defects, a thermo-chemo-viscoelastic-viscoplastic adhesive model implemented in LS-DYNA was applied. The model combines curing kinetics, viscoelastic relaxation, and pressure-dependent plasticity and features a geometric damage parameter (D) that captures the adhesive area reduction caused by viscous fingering as an exponential function of the accumulated normal strain in the liquid phase. This damage parameter, calibrated on base-specimen level, was transferred to the component geometry. The simulation demonstrated high predictive accuracy with a maximum deviation of the adhesive area reduction of 3.1% compared to experimental data. This validates the model’s capability to predict manufacturing-induced damage in complex hybrid structures solely based on thermal boundary conditions.}},
author = {{Al Trjman, Mohamad and Beule, Felix and Teutenberg, Dominik and Meschut, Gerson and Riese, Julia}},
issn = {{0021-8464}},
journal = {{The Journal of Adhesion}},
keywords = {{Adhesive area reduction, CED coating process, delta alpha problem, epoxy structural adhesive, influence of manufacture, multi-material design, numerical simulation (FEM), relative displacements, viscous fingering (saffman-taylor-instability).}},
pages = {{1--24}},
publisher = {{Informa UK Limited}},
title = {{{Experimental characterization and numerical analysis of the influence of the CED coating process on viscous fingering formation in hybrid-jointed mixed structures}}},
doi = {{10.1080/00218464.2026.2644394}},
year = {{2026}},
}
@article{64997,
author = {{Trienens, Dorte and Brüning, Florian and Schöppner, Volker}},
journal = {{kunststoffland NRW report}},
keywords = {{extrusion, KI, Simulation}},
number = {{03-2025}},
pages = {{24–25}},
title = {{{Wo Forschung, KI und Praxis aufeinandertreffen}}},
year = {{2026}},
}
@phdthesis{59239,
abstract = {{Diese Arbeit behandelt die Modellierung und Optimierung von mit Phasenwechselmaterialien (PCM) ausgestatteten, energietechnischen Komponenten anhand zweier Fallstudien. PCM sind Materialien, deren Phasenwechseleigenschaften während des Schmelzens und Erstarrens für Heiz- und Kühlzwecke genutzt werden. Zunächst werden die theoretischen Grundlagen zu Wärmeübertragungsproblemen mit Phasenwechsel erörtert und entsprechende numerische Lösungsmethoden diskutiert. Ein Modell für Phasenwechselvorgänge wird vorgestellt, welches anhand analytischer Lösungen validiert wurde und in den Fallstudien zum Einsatz kam. Für beide Fallstudien wird der Stand der Technik erörtert und die entsprechenden Forschungsfragen werden formuliert. Die erste Fallstudie behandelt PCM-integrierte Photovoltaikmodule und die zweite Festbett-Latentwärmespeicher, welche nicht-kugelförmiger PCM-Kapseln verwenden. Für beide Systeme wurden thermische Model-le entwickelt und anhand experimenteller Daten mit guter Genauigkeit validiert. Diese Modelle wurden in Parameterstudien eingesetzt, um optimierte Systemkonfigurationen zu identifizieren. Die vorgestellten Ergebnisse zeigen, dass ein PCM-Kühlkörper mit ausreichender Dicke und Wärmeleitfähigkeit den Wirkungsgrad und die Lebensdauer von Photovoltaikmodulen erheblich erhöht. Darüber hinaus verbessern PCM-Kapseln mit hoher Packungs-dichte und Oberfläche sowohl die volumenspezifische Speicherkapazität als auch die thermische Leistung von Festbett-Latentwärmespeichern.}},
author = {{Grabo, Matti}},
keywords = {{Heat transfer, PCM, numerical simulation, renewable energy, heat storage}},
title = {{{Modeling and optimization of energy system components equipped with phase change materials}}},
doi = {{10.17619/UNIPB/1-2199}},
year = {{2025}},
}
@article{61014,
abstract = {{To obtain a more comprehensive understanding of the specific properties of complex-shaped technical aerosols—such as partially sintered aggregates formed in combustion processes or structured particles resulting from complex synthesis processes—it is essential to measure more than a single equivalent size. This study examines a novel method for determining a two-dimensional distribution of two distinct particle properties within the size range from 50nm to 1000nm: the Centrifugal Differential Mobility Analyzer (CDMA). The CDMA enables the simultaneous measurement of both mobility and Stokes equivalent diameters, providing a detailed two-dimensional particle property distribution. This, in turn, allows for the extraction of shape-related information, which is essential for characterizing particles in terms of their chemical composition, reactivity, and other physicochemical properties. This paper presents a detailed evaluation of a first CDMA prototype. First, CFD simulations of the flow field within the classifier are presented in order to assess and understand non-idealities arising from the exact geometry. Subsequently, the transfer function is evaluated by particle trajectory calculations based on the simulated flow field. It can be demonstrated that the simulated transfer functions agree quite well with transfer functions derived from streamlines of an ideal flow field, indicating that the non-idealities in the classifying region are almost negligible in their effect on the classification result. An experimental determination of the transfer function shows additional effects not covered by the previous simulations, like broadening by diffusion and losses due to diffusion and precipitation within the in- and outlet of the classifier. Finally, the determined transfer functions are used to determine the full two-dimensional distribution with regard to the mobility and Stokes equivalent diameter of real aerosols, like spherical particles and aggregates at different sintering stages, respectively.}},
author = {{Rüther, Torben Norbert and Gröne, Sebastian and Dechert, Christopher and Schmid, Hans-Joachim}},
issn = {{2674-0516}},
journal = {{Powders}},
keywords = {{centrifugal differential mobility analysis, 2D-measurement, particle characterization, moving reference frame CFD-simulation, transfer function}},
number = {{2}},
publisher = {{MDPI AG}},
title = {{{Centrifugal Differential Mobility Analysis—Validation and First Two-Dimensional Measurements}}},
doi = {{10.3390/powders4020011}},
volume = {{4}},
year = {{2025}},
}
@inproceedings{61060,
abstract = {{In early operational phases of severe weather events, a lack of
information challenges emergency management teams to gain
an overview of the situation and make informed decisions. To
support situational exploration, unmanned aerial and ground
vehicles attract increasing attention, primarily used to
document operational sites. However, they offer further
potential in early operational phases. To ensure their reliable
use for exploration, decision-makers must be aware of
opportunities and limitations under prevailing conditions. For
this, use cases for robotic simulation in emergency response
are presented, considering technical restrictions and dynamic
influences from weather impacts. The approach of integrating
rescue robot simulation into the response phase is developed
following a five-step research design. Existing use cases of
rescue robot simulation are identified in a systematic literature
analysis. The results are extended with use cases developed for
urban flooding scenarios. Subsequently, use cases are assessed
and selected for implementation in the simulation environment
Gazebo. Finally, the results are validated with end users in the
EU research project CREXDATA, which focuses on decision
support based on processing extreme data. The implemented
use cases demonstrate the potential of robotic simulation in
emergency response to accelerate action planning in decisionmaking and provide a more detailed picture, enabling betterinformed decisions. }},
author = {{Gräßler, Iris and Döhner, Niklas and Ebel, Marcel and Pottebaum, Jens}},
booktitle = {{Mensch und Computer 2025 - Workshopband}},
keywords = {{robotic simulation, rescue robots, emergency response, extreme weather}},
location = {{Chemnitz}},
title = {{{Shifting boundaries from preparedness to response: Using simulation of rescue robots in weather-induced emergencies}}},
doi = {{10.18420/muc2025-mci-ws01-187}},
year = {{2025}},
}
@article{65007,
author = {{Knaup, Felix and Schöppner, Volker}},
journal = {{International Polymer Processing}},
keywords = {{CFD simulation, melting modeling, melting process, polymer extrusion, single-screw extruder}},
title = {{{Improvement of a numerical two-phase simulation model for single-screw plasticizing extruders based on experimental investigations}}},
doi = {{10.1515/ipp-2025-0072}},
year = {{2025}},
}
@inproceedings{65009,
author = {{Schmidt, Leon and Schöppner, Volker and Brüning, Florian}},
booktitle = {{RubberCon 2025}},
editor = {{Gummitekniska Förening, Sveriges and Swedish, Norwegian and Finnish rubber associations}},
keywords = {{extrusion, Kautschuk, Simulation}},
title = {{{Findings on pinless screw design for rubber extrusion}}},
year = {{2025}},
}
@article{65000,
author = {{Hanselle, Felix Paul and Schöppner, Volker and Brüning, Florian}},
journal = {{International Polymer Processing}},
keywords = {{Druckabhängigkeit, Rheologie, Simulation, Spritzgießen, Viskosität}},
title = {{{Consideration of modeled pressure dependent viscosity data in injection molding simulation}}},
doi = {{10.1515/ipp-2025-0074}},
year = {{2025}},
}
@inbook{65238,
author = {{Damanik, Hogenrich and Fatima, Arooj and Turek, Stefan and Petzke, Jonas Dirk Rudolf Helmut and Kleinschmidt, Dennis and Brüning, Florian}},
booktitle = {{International Rubber Conference (IRC) 2025, Bangkok, BITEC; e-abstract book}},
keywords = {{CFD simulation, Materialmodellierung, Phan-Thien-Tanner, PTT, Simulation}},
pages = {{266–268}},
title = {{{Numerical modeling of the non-isothermal viscoelastic flow behavior of rubber compounds based on the PHAN-THİEN-TANNER (PTT) model}}},
year = {{2025}},
}
@article{52218,
author = {{Lenz, Peter and Mahnken, Rolf}},
issn = {{0020-7683}},
journal = {{International Journal of Solids and Structures}},
keywords = {{Applied Mathematics, Mechanical Engineering, Mechanics of Materials, Condensed Matter Physics, General Materials Science, Modeling and Simulation}},
publisher = {{Elsevier BV}},
title = {{{Multiscale simulation of polymer curing of composites combined mean-field homogenisation methods at large strains}}},
doi = {{10.1016/j.ijsolstr.2023.112642}},
volume = {{290}},
year = {{2024}},
}
@inproceedings{56072,
abstract = {{Weather-induced emergencies are characterized by underlying weather phenomena, their evolution in time and space as well as their impact on the environment including people, nature and infrastructure. Typically, simulations are used to consider a variety of potential extreme weather scenarios in preparedness phases. Due to required computing power, duration and high efforts in parameterizing such tools are hardly used within response situations. Enhanced simulation models and surrogate models based on machine learning technologies carry potentials to overcome
these challenges. An approach is presented that adopts simulation for the case of flooding events. It considers all phases from demand situation in command posts through advanced parameter space exploration to advanced visualization of simulation results in Augmented Reality. Initial evaluation results are presented, complemented by conclusions on incorporated technologies. The results contribute to future adoption of simulation even in time-critical
response situations.}},
author = {{Pottebaum, Jens and Ebel, Marcel and Gräßler, Iris}},
booktitle = {{Mensch und Computer 2024 - Workshopband}},
keywords = {{extreme weather, emergency response, simulation, Augmented Reality}},
location = {{Karlsruhe}},
publisher = {{Gesellschaft für Informatik e.V.}},
title = {{{Extending the application of simulation from preparedness to response use cases in weather-induced emergencies}}},
doi = {{10.18420/muc2024-mci-ws13-209}},
year = {{2024}},
}
@inproceedings{59128,
author = {{Brüning, Florian and Schmidt, Leon}},
booktitle = {{20. Kautschuk-Herbstkolloquium (KHK)}},
editor = {{Institut für Kautschuktechnologie e.V., Deutsches}},
keywords = {{extrusion, Kautschuk, Simulation}},
title = {{{Investigation of alternative screw concepts for rubber extrusion}}},
year = {{2024}},
}
@inproceedings{59127,
author = {{Schmidt, Leon and Brüning, Florian}},
booktitle = {{Deutsche Kautschuk Tagung 2024 (DKT 2024)}},
keywords = {{extrusion, Kautschuk, Simulation}},
title = {{{Investigation of alternative pinless screw concepts for rubber extrusion}}},
year = {{2024}},
}
@inproceedings{59126,
author = {{Petzke, Jonas Dirk Rudolf Helmut and Brüning, Florian and Kleinschmidt, Dennis}},
booktitle = {{39th International Conference of the Polymer Processing Society}},
keywords = {{Kautschuk, Mikrowelle, Simulation, Vulkanisation}},
title = {{{Simulative Approach for Predicting the Heating Behavior of Elastomers in the Solid-State Microwave Heating Process}}},
year = {{2024}},
}
@inproceedings{59125,
author = {{Petzke, Jonas Dirk Rudolf Helmut and Brüning, Florian and Kleinschmidt, Dennis}},
booktitle = {{Annual Technical Conference of the Society of Plastics Engineers (ANTEC 2024)}},
keywords = {{Kautschuk, Mikrowelle, Simulation, Vulkanisation}},
title = {{{SIMULATION OF MICROWAVE HEATING IN THE VULCANIZATION PROCESS OF RUBBER EXTRUDATES}}},
year = {{2024}},
}
@inproceedings{63497,
author = {{Förster, Nikolas and Wallscheid, Oliver and Schafmeister, Frank}},
booktitle = {{2024 IEEE Design Methodologies Conference (DMC)}},
keywords = {{MOSFET, Thermal resistance, Surface resistance, Bridge circuits, Zero voltage switching, Pareto optimization, Capacitance, Numerical simulation, Optimization, Resistance heating, Pareto Optimization, Dual-Active Bridge, ZVS, Inductor Optimization, Transformer Optimization, Heat Sink Optimization}},
pages = {{1--8}},
title = {{{Dual-Active Bridge Sequential Pareto Optimization for Fast Pre-Design and Final Component Selection}}},
doi = {{10.1109/DMC62632.2024.10812131}},
year = {{2024}},
}
@inproceedings{56636,
abstract = {{Abstract. Business reputation ecosystems are a widely untapped research field. In these ecosystems, agents can selectively exchange (monetary) ratings to in-form about the experienced quality in a market. We build a model for conducting a multi-agent simulation that can be used to simulate and evaluate business rep-utation ecosystems as a new system class. We explore the factual occurring vol-untary payment to create positive (pay) or negative ratings (no pay), selling rat-ings selectively to alleviate information asymmetry, and the workings of counter-ratings to prevent buyers' dishonest ratings. Thereby, we analyze, among others, agent profitability, the occurrence of dishonest ratings, and reputation bias and sensitivity. The results provide simulation-based empirical evidence that the con-cept of monetary reputation systems provides necessary incentives for participa-tion, and high-quality sellers and honest buyers benefit from such a system. The results indicate that counter-ratings prompt buyers}},
author = {{Ibrahimli, Ulvi and Hemmrich, Simon and Zauke, Simon and Winkelmann, Axel}},
booktitle = {{19. Internationale Tagung Wirtschaftsinformatik (WI24)}},
keywords = {{Reputation System, Payment as Rating, Multi-Agent Simulation, Lemon Markets}},
location = {{Würzburg}},
title = {{{Overcoming Lemon Markets with Business Reputation Ecosystem – A Multi-agent Simulation on Monetary Ratings}}},
year = {{2024}},
}
@article{47800,
abstract = {{The introduction of Systems Engineering is an approach for dealing with the increasing complexity of products and their associated product development. Several introduction strategies are available in the literature; nevertheless, the introduction of Systems Engineering into practice still poses a great challenge to companies. Many companies have already gained experience in the introduction of Systems Engineering. Therefore, as part of the SE4OWL research project, the need to conduct a study including expert interviews and to collect the experiences of experts was identified. A total of 78 hypotheses were identified from 13 expert interviews concerning the lessons learned. Using exclusion criteria, 52 hypotheses were validated in a subsequent quantitative survey with 112 participants. Of these 52 hypotheses, 40 could be confirmed based on the survey results. Only four hypotheses were rejected, and eight could neither be confirmed nor rejected. Through this research, guidance is provided to companies to leverage best practices for the introduction of their own Systems Engineering and to avoid the poor practices of other companies.}},
author = {{Wilke, Daria and Grothe, Robin and Bretz, Lukas and Anacker, Harald and Dumitrescu, Roman}},
issn = {{2079-8954}},
journal = {{Systems}},
keywords = {{Information Systems and Management, Computer Networks and Communications, Modeling and Simulation, Control and Systems Engineering, Software}},
number = {{3}},
publisher = {{MDPI AG}},
title = {{{Lessons Learned from the Introduction of Systems Engineering}}},
doi = {{10.3390/systems11030119}},
volume = {{11}},
year = {{2023}},
}
@article{48673,
author = {{Lenz, Peter and Kreutzheide, Phil and Mahnken, Rolf}},
issn = {{0045-7949}},
journal = {{Computers & Structures}},
keywords = {{Computer Science Applications, Mechanical Engineering, General Materials Science, Modeling and Simulation, Civil and Structural Engineering}},
publisher = {{Elsevier BV}},
title = {{{Multiphase elasto-plastic mean-field homogenisation and its consistent linearisation}}},
doi = {{10.1016/j.compstruc.2023.107160}},
volume = {{290}},
year = {{2023}},
}