@article{46217,
  author       = {{Renner, Britta and Buyken, Anette and Gedrich, Kurt and Lorkowski, Stefan and Watzl, Bernhard and Linseisen, Jakob and Daniel, Hannelore and Conrad, Johanna and Ferrario, Paola G. and Holzapfel, Christina and Leitzmann, Michael and Richter, Margrit and Simon, Marie-Christine and Sina, Christian and Wirsam, Jan}},
  issn         = {{2161-8313}},
  journal      = {{Advances in Nutrition}},
  keywords     = {{Nutrition and Dietetics, Medicine (miscellaneous), Food Science}},
  publisher    = {{Elsevier BV}},
  title        = {{{Perspective: A Conceptual Framework for Adaptive Personalized Nutrition Advice Systems}}},
  doi          = {{10.1016/j.advnut.2023.06.009}},
  year         = {{2023}},
}

@inproceedings{46216,
  author       = {{Kaufhold, Marc-André and Bayer, Markus and Bäumler, Julian and Reuter, Christian and Stieglitz, Stefan and Basyurt, Ali Sercan and Mirbabaie, Milad and Fuchß, Christoph and Eyilmez, Kaan}},
  booktitle    = {{Mensch und Computer}},
  title        = {{{CYLENCE: Strategies and Tools for Cross-Media Reporting, Detection, and Treatment of Cyberbullying and Hatespeech in Law Enforcement Agencies}}},
  year         = {{2023}},
}

@misc{46221,
  author       = {{N., N.}},
  title        = {{{Improving the End-of-Line Test of Custom-Built Geared Motors using Clustering based on Neural Networks}}},
  year         = {{2023}},
}

@article{46243,
  author       = {{Demir, Caglar and Ngonga Ngomo, Axel-Cyrille}},
  journal      = {{ECML-PKDD}},
  location     = {{Torino}},
  title        = {{{Clifford Embeddings – A Generalized Approach for Embedding in Normed Algebras}}},
  year         = {{2023}},
}

@article{46251,
  author       = {{Demir, Caglar and Ngonga Ngomo, Axel-Cyrille}},
  journal      = {{International Joint Conference on Artificial Intelligence}},
  location     = {{Macau}},
  title        = {{{Neuro-Symbolic Class Expression Learning}}},
  year         = {{2023}},
}

@article{46256,
  author       = {{Ma, Yulai and Mattiolo, Davide and Steffen, Eckhard and Wolf, Isaak Hieronymus}},
  issn         = {{0895-4801}},
  journal      = {{SIAM Journal on Discrete Mathematics}},
  keywords     = {{General Mathematics}},
  number       = {{3}},
  pages        = {{1548--1565}},
  publisher    = {{Society for Industrial & Applied Mathematics (SIAM)}},
  title        = {{{Pairwise Disjoint Perfect Matchings in r-Edge-Connected r-Regular Graphs}}},
  doi          = {{10.1137/22m1500654}},
  volume       = {{37}},
  year         = {{2023}},
}

@inproceedings{46262,
  author       = {{Scholl, Daniel and Küth, Simon and Vogelsang, Christoph and Meier, Jana and Watson, Christina and Seifert, Andreas}},
  location     = {{Universität Potsdam}},
  title        = {{{Das Unterrichtsplanungsprinzip der Interdependenz – Eine netzwerkanalytische Untersuchung der Begründungsstrukturen beim Planungsentscheiden [Einzelbeitrag]. }}},
  year         = {{2023}},
}

@inproceedings{46263,
  author       = {{Scholl, Daniel and Vogelsang, Christoph and Küth, Simon and Meier, Jana and Watson, Christina and Seifert, Andreas}},
  location     = {{Stiftung Universität Hildesheim}},
  title        = {{{Eine reflexive Haltung als Grundlage einer hochwertigen Unterrichtsreflexion? Zusammenhänge zwischen einer quasi-experimentellen Einstellung zur Reflexion und der Reflexionsperformanz von Lehramtsstudierenden [Einzelbeitrag]. }}},
  year         = {{2023}},
}

@inproceedings{46269,
  abstract     = {{State-of-the-art LLC resonant converters use MOSFETs in their inverter stage, which allows high switching frequencies and thus the use of compact magnetic components. The large parasitic output capacitance and the poor reverse-recovery behaviour of the inherent body diode of high-voltage (600 V) silicon MOSFETs require soft switching, i.e. zero-voltage switching (ZVS). Otherwise, the high turn-on switching losses would lead to excessive heating and ultimately to the destruction of the switch. Therefore, MOSFET-based LLC converters are operated in the so-called inductive region only, which enables ZVS. The use of robust and cost-effective IGBTs instead of MOSFETs is particularly advantageous for automotive applications, since in addition to high reliability low costs are an important objective here. Since IGBTs are characterized by dominant turn-off losses and generally higher switching losses compared to MOSFETs, the aim is to operate them with zero-current switching (ZCS) and at low switching frequencies below the resonance frequency. In this region also the voltage transfer characteristic is steeper, which qualifies for applications with a strongly varying input-to-output voltage ratio, such as given for automotive on-board DC-DC converters connecting the (high-voltage) traction battery with the (12 V) auxiliary battery. In this paper, a stress value analysis based on a switched-model simulation is used to design a ZCS LLC converter and take advantage of the mentioned benefits of IGBTs as well as of the steeper voltage transfer characteristic. Within this operation region below the resonance frequency, however, a new phenomenon of several current pulses occurring during a single switching period through the rectifier components may appear. Generally, in applications with high output currents a synchronous rectifier (SR) is often used to keep the conduction losses of the rectifier stage at a moderate level: Low-voltage MOSFETs, which actively need to be gated synchronously to the polarity of the current pulses, are employed then instead of more lossy rectifier diodes. However, standard SR driver ICs have been shown to be unable to properly rectify the multi-pulse output currents of the proposed LLC operation, resulting in high conduction losses of the rectifier stage. A cost-effective hardware concept is presented which ensures proper rectification by using standard SR-ICs that are actively overdriven by the converter’s central microcontroller. A 2 kW prototype for an EV on-board DC-DC converter was built to show the effectiveness of the method, documenting an increase in efficiency by up to 4.1 % compared to a purely SR-IC-based solution. Overall efficiency is very similar to that of a conventional (MOSFET-based) LLC converter so that the ZCS-operated LLC IGBT-converter represents a cost-effective alternative, which even shows 10 % less worst-case losses.}},
  author       = {{Urbaneck, Daniel and Schafmeister, Frank and Böcker, Joachim}},
  booktitle    = {{PCIM Europe 2023}},
  keywords     = {{LLC Converter, IGBT, ZCS, Synchronous Rectification}},
  location     = {{Nürnberg}},
  title        = {{{Advanced Synchronous Rectification for an IGBT-Based ZCS LLC Converter with High Output Currents for a 2 kW Automotive DC-DC Stage}}},
  year         = {{2023}},
}

@inproceedings{43228,
  abstract     = {{The computation of electron repulsion integrals (ERIs) over Gaussian-type orbitals (GTOs) is a challenging problem in quantum-mechanics-based atomistic simulations. In practical simulations, several trillions of ERIs may have to be
computed for every time step.
In this work, we investigate FPGAs as accelerators for the ERI computation. We use template parameters, here within the Intel oneAPI tool flow, to create customized designs for 256 different ERI quartet classes, based on their orbitals. To maximize data reuse, all intermediates are buffered in FPGA on-chip memory with customized layout. The pre-calculation of intermediates also helps to overcome data dependencies caused by multi-dimensional recurrence
relations. The involved loop structures are partially or even fully unrolled for high throughput of FPGA kernels. Furthermore, a lossy compression algorithm utilizing arbitrary bitwidth integers is integrated in the FPGA kernels. To our
best knowledge, this is the first work on ERI computation on FPGAs that supports more than just the single most basic quartet class. Also, the integration of ERI computation and compression it a novelty that is not even covered by CPU or GPU libraries so far.
Our evaluation shows that using 16-bit integer for the ERI compression, the fastest FPGA kernels exceed the performance of 10 GERIS ($10 \times 10^9$ ERIs per second) on one Intel Stratix 10 GX 2800 FPGA, with maximum absolute errors around $10^{-7}$ - $10^{-5}$ Hartree. The measured throughput can be accurately explained by a performance model. The FPGA kernels deployed on 2 FPGAs outperform similar computations using the widely used libint reference on a two-socket server with 40 Xeon Gold 6148 CPU cores of the same process technology by factors up to 6.0x and on a new two-socket server with 128 EPYC 7713 CPU cores by up to 1.9x.}},
  author       = {{Wu, Xin and Kenter, Tobias and Schade, Robert and Kühne, Thomas and Plessl, Christian}},
  booktitle    = {{2023 IEEE 31st Annual International Symposium on Field-Programmable Custom Computing Machines (FCCM)}},
  pages        = {{162--173}},
  title        = {{{Computing and Compressing Electron Repulsion Integrals on FPGAs}}},
  doi          = {{10.1109/FCCM57271.2023.00026}},
  year         = {{2023}},
}

@article{45361,
  abstract     = {{<jats:p> The non-orthogonal local submatrix method applied to electronic structure–based molecular dynamics simulations is shown to exceed 1.1 EFLOP/s in FP16/FP32-mixed floating-point arithmetic when using 4400 NVIDIA A100 GPUs of the Perlmutter system. This is enabled by a modification of the original method that pushes the sustained fraction of the peak performance to about 80%. Example calculations are performed for SARS-CoV-2 spike proteins with up to 83 million atoms. </jats:p>}},
  author       = {{Schade, Robert and Kenter, Tobias and Elgabarty, Hossam and Lass, Michael and Kühne, Thomas and Plessl, Christian}},
  issn         = {{1094-3420}},
  journal      = {{The International Journal of High Performance Computing Applications}},
  keywords     = {{Hardware and Architecture, Theoretical Computer Science, Software}},
  publisher    = {{SAGE Publications}},
  title        = {{{Breaking the exascale barrier for the electronic structure problem in ab-initio molecular dynamics}}},
  doi          = {{10.1177/10943420231177631}},
  year         = {{2023}},
}

@article{46278,
  abstract     = {{<jats:p>Site-controlled Ga droplets on AlGaAs substrates are fabricated using area-selective deposition of Ga through apertures in a mask during molecular beam epitaxy (MBE). The Ga droplets can be crystallized into GaAs quantum dots using a crystallization step under As flux. In order to model the complex process, including the masked deposition of the droplets and a reduction of their number during a thermal annealing step, a multiscale kinetic Monte Carlo (mkMC) simulation of self-assembled Ga droplet formation on AlGaAs is expanded for area-selective deposition. The simulation has only two free model parameters: the activation energy for surface diffusion and the activation energy for thermal escape of adatoms from a droplet. Simulated droplet numbers within the opening of the aperture agree quantitatively with the experimental results down to the perfect site-control, with one droplet per aperture. However, the model parameters are different compared to those of the self-assembled droplet growth. We attribute this to the presence of the mask in close proximity to the surface, which modifies the local process temperature and the As background. This approach also explains the dependence of the model parameters on the size of the aperture.</jats:p>}},
  author       = {{Feddersen, Stefan and Zolatanosha, Viktoryia and Alshaikh, Ahmed and Reuter, Dirk and Heyn, Christian}},
  issn         = {{2079-4991}},
  journal      = {{Nanomaterials}},
  keywords     = {{General Materials Science, General Chemical Engineering}},
  number       = {{3}},
  publisher    = {{MDPI AG}},
  title        = {{{Modeling of Masked Droplet Deposition for Site-Controlled Ga Droplets}}},
  doi          = {{10.3390/nano13030466}},
  volume       = {{13}},
  year         = {{2023}},
}

@article{46277,
  author       = {{Sieland, Benedikt and Stahn, Marcel and Schoch, Roland and Daniliuc, Constantin and Spicher, Sebastian and Grimme, Stefan and Hansen, Andreas and Paradies, Jan}},
  issn         = {{1433-7851}},
  journal      = {{Angewandte Chemie International Edition}},
  keywords     = {{General Chemistry, Catalysis}},
  publisher    = {{Wiley}},
  title        = {{{Dispersion Energy‐Stabilized Boron and Phosphorus Lewis Pairs}}},
  doi          = {{10.1002/anie.202308752}},
  year         = {{2023}},
}

@inbook{46099,
  author       = {{Tophinke, Doris}},
  booktitle    = {{Zwischen Fake und Fakt}},
  editor       = {{Feilke, Helmuth}},
  pages        = {{42–47}},
  publisher    = {{Friedrich Verlag}},
  title        = {{{"Tankrabatt" und "Freiheitsenergie". Wie der Blog "neusprech.org" politische Euphemismen entlarvt}}},
  volume       = {{300}},
  year         = {{2023}},
}

@article{45673,
  author       = {{Merten, Marie-Luis and Wever, Marcel and Tophinke, Doris and Geierhos, Michaela and Hüllermeier, Eyke}},
  journal      = {{International Journal of Corpus Linguistics}},
  title        = {{{Annotation uncertainty in the context of grammatical change}}},
  doi          = {{https://doi.org/10.1075/ijcl.20113.mer}},
  year         = {{2023}},
}

@phdthesis{45780,
  author       = {{Tornede, Alexander}},
  title        = {{{Advanced Algorithm Selection with Machine Learning: Handling Large Algorithm Sets, Learning From Censored Data, and Simplyfing Meta Level Decisions}}},
  doi          = {{10.17619/UNIPB/1-1780 }},
  year         = {{2023}},
}

@phdthesis{46296,
  author       = {{Spiess-Bru, Clarissa}},
  title        = {{{Information Asymmetry and Gendered Behavior in Organizations and Digital Markets}}},
  year         = {{2023}},
}

@inproceedings{45661,
  abstract     = {{Effect chain modelling is a method for creating information
models for impact analyses of changes in system elements. For
the estimation of change propagation, dependencies between
requirements must be detected. The high number of require-
ment dependencies in the engineering of complex technical
systems results in the need for automation. In a study, it was
shown that transformer models (BERT) are suitable for the
automated dependency analysis of requirements. However,
there are currently deficits in the applicability of the models
for different projects without an extensive and heterogeneous
training database. This paper investigates how active learning
can be used to train BERT models (active-BERT) in order to
increase the performance of the models for classifying requi-
rement dependencies of projects with heterogeneous require-
ments. The results show that the performance of the models
increases significantly through active learning. Through active-
BERT, engineers are enabled to model effect chains efficiently
and to handle requirement changes effectively.}},
  author       = {{Gräßler, Iris and Preuß, Daniel}},
  booktitle    = {{Stuttgarter Symposium für Produktentwicklung SSP 2023}},
  editor       = {{Hölzle, Katharina and Kreimeyer, Matthias and Roth, Daniel and Maier, Thomas and Riedel, Oliver}},
  issn         = {{2364-4885}},
  location     = {{Stuttgart}},
  publisher    = {{Fraunhofer IAO}},
  title        = {{{Automatisierte Abhängigkeitsanalyse von Anforderungen zur Wirkkettenmodellierung}}},
  year         = {{2023}},
}

@unpublished{40982,
  abstract     = {{Effective photoinduced charge transfer makes molecular bimetallic assemblies attractive for applications as active light induced proton reduction systems. For a more sustainable future, development of competitive base metal dyads is mandatory. However, the electron transfer mechanisms from the photosensitizer to the proton reduction catalyst in base metal dyads remain so far unexplored. We study a Fe-Co dyad that exhibits photocatalytic H2 production activity using femtosecond X-ray emission spectroscopy, complemented by ultrafast optical spectroscopy and theoretical time-dependent DFT calculations, to understand the electronic and structural dynamics after photoexcitation and during the subsequent charge transfer process from the FeII photosensitizer to the cobaloxime catalyst. Using this novel approach, the simultaneous measurement of the transient Kalpha X-ray emission at the iron and cobalt K-edges in a two-colour experiment is enabled making it possible to correlate the excited state dynamics to the electron transfer processes. The methodology, therefore, provides a clear and direct spectroscopic evidence of the Fe->Co electron transfer responsible for the proton reduction activity.}},
  author       = {{Nowakowski, Michał and Huber-Gedert, Marina and Elgabarty, Hossam and Kubicki, Jacek and Kertem, Ahmet and Lindner, Natalia and Khakhulin, Dimitry and Lima, Frederico Alves and Choi, Tae-Kyu and Biednov, Mykola and Piergies, Natalia and Zalden, Peter and Kubicek, Katerina and Rodriguez-Fernandez, Angel and Salem, Mohammad Alaraby and Kühne, Thomas and Gawelda, Wojciech and Bauer, Matthias}},
  booktitle    = {{arxiv}},
  title        = {{{Ultrafast two-colour X-ray emission spectroscopy reveals excited state landscape in a base metal dyad}}},
  year         = {{2023}},
}

@article{29240,
  abstract     = {{The principle of least action is one of the most fundamental physical principle. It says that among all possible motions connecting two points in a phase space, the system will exhibit those motions which extremise an action functional. Many qualitative features of dynamical systems, such as the presence of conservation laws and energy balance equations, are related to the existence of an action functional. Incorporating variational structure into learning algorithms for dynamical systems is, therefore, crucial in order to make sure that the learned model shares important features with the exact physical system. In this paper we show how to incorporate variational principles into trajectory predictions of learned dynamical systems. The novelty of this work is that (1) our technique relies only on discrete position data of observed trajectories. Velocities or conjugate momenta do not need to be observed or approximated and no prior knowledge about the form of the variational principle is assumed. Instead, they are recovered using backward error analysis. (2) Moreover, our technique compensates discretisation errors when trajectories are computed from the learned system. This is important when moderate to large step-sizes are used and high accuracy is required. For this,
we introduce and rigorously analyse the concept of inverse modified Lagrangians by developing an inverse version of variational backward error analysis. (3) Finally, we introduce a method to perform system identification from position observations only, based on variational backward error analysis.}},
  author       = {{Ober-Blöbaum, Sina and Offen, Christian}},
  issn         = {{0377-0427}},
  journal      = {{Journal of Computational and Applied Mathematics}},
  keywords     = {{Lagrangian learning, variational backward error analysis, modified Lagrangian, variational integrators, physics informed learning}},
  pages        = {{114780}},
  publisher    = {{Elsevier}},
  title        = {{{Variational Learning of Euler–Lagrange Dynamics from Data}}},
  doi          = {{10.1016/j.cam.2022.114780}},
  volume       = {{421}},
  year         = {{2023}},
}