@unpublished{50174, abstract = {{Heavy-ion collisions can be well described through relativistic viscous hydrodynamics, but questions still remain when hydrodynamics is applicable because the initial state may begin very far-from-equilibrium. Thus, a pre-equilibrium evolution phase is used to bridge the gap between the initial state and hydrodynamics. K$\phi$MP$\phi$ST is one such pre-equilibrium model that propagates the energy-momentum tensor by decomposing it into the background and fluctuations around that background, whose evolution is captured by Green's functions. We extend this formalism to include conserved charges and calculate the corresponding non-equilibrium Green's functions in the relaxation time approximation. The ICCING algorithm initializes conserved charges in the initial state by sampling $g \rightarrow q\bar{q}$ splitting probabilities and is, thus, perfectly positioned to implement Green's functions for charge propagation. We show that this method alters the initial state charge geometries and is applicable in central to mid-central collisions.}}, author = {{Carzon, Patrick and Martinez, Mauricio and Jacquelyn Noronha-Hostler, Jacquelyn Noronha-Hostler and Plaschke, Philip and Schlichting, Soeren and Sievert, Matthew}}, booktitle = {{arXiv:2301.04572}}, title = {{{Pre-Equilibrium Evolution of Conserved Charges with ICCING Initial Conditions}}}, year = {{2023}}, } @article{50145, author = {{Dawid, Herbert and Harting, Philipp and Neugart, Michael}}, issn = {{1556-5068}}, journal = {{SSRN Electronic Journal}}, keywords = {{General Earth and Planetary Sciences, General Environmental Science}}, publisher = {{Elsevier BV}}, title = {{{Implications of Algorithmic Wage Setting on Online Labor Platforms: a Simulation-Based Analysis∗}}}, doi = {{10.2139/ssrn.4405558}}, year = {{2023}}, } @unpublished{50173, abstract = {{We study the response of the energy-momentum tensor in several kinetic theories, from the simple relaxation time approximation (RTA) to Quantum Chromodynamics (QCD). Irrespective of the differences in microscopic properties, we find a remarkable degree of universality in the response functions from conformal theories. We find that the response to scalar perturbations in kinetic theory can be effectively described by a pair of one hydrodynamic sound mode and one non-hydrodynamic mode. We find that even beyond the range of validity of hydrodynamics, the energy-momentum response in position space can be effectively described by one single mode with non-trivial dispersion relation and residue.}}, author = {{Du, Xiaojian and Ochsenfeld, Stephan and Schlichting, Sören}}, booktitle = {{arXiv:2306.09094}}, title = {{{Universality of energy-momentum response in kinetic theories}}}, year = {{2023}}, } @article{50222, author = {{de Jong, Laurel Watkins and Nejad, Mohammadreza Mohagheghi and Yoon, Euisik and Cheng, Sen and Diba, Kamran}}, journal = {{Current Biology}}, publisher = {{Elsevier}}, title = {{{Optogenetics reveals paradoxical network stabilizations in hippocampal CA1 and CA3}}}, year = {{2023}}, } @article{50150, abstract = {{Covalent peptidomimetic protease inhibitors have gained a lot of attention in drug development in recent years. They are designed to covalently bind the catalytically active amino acids through electrophilic groups called warheads. Covalent inhibition has an advantage in terms of pharmacodynamic properties but can also bear toxicity risks due to non-selective off-target protein binding. Therefore, the right combination of a reactive warhead with a well-suited peptidomimetic sequence is of great importance. Herein, the selectivities of well-known warheads combined with peptidomimetic sequences suited for five different proteases were investigated, highlighting the impact of both structure parts (warhead and peptidomimetic sequence) for affinity and selectivity. Molecular docking gave insights into the predicted binding modes of the inhibitors inside the binding pockets of the different enzymes. Moreover, the warheads were investigated by NMR and LC-MS reactivity assays against serine/threonine and cysteine nucleophile models, as well as by quantum mechanics simulations.}}, author = {{Müller, Patrick and Meta, Mergim and Meidner, Jan Laurenz and Schwickert, Marvin and Meyr, Jessica and Schwickert, Kevin and Kersten, Christian and Zimmer, Collin and Hammerschmidt, Stefan Josef and Frey, Ariane and Lahu, Albin and de la Hoz-Rodríguez, Sergio and Agost-Beltrán, Laura and Rodríguez, Santiago and Diemer, Kira and Neumann, Wilhelm and Gonzàlez, Florenci V. and Engels, Bernd and Schirmeister, Tanja}}, issn = {{1422-0067}}, journal = {{International Journal of Molecular Sciences}}, keywords = {{Inorganic Chemistry, Organic Chemistry, Physical and Theoretical Chemistry, Computer Science Applications, Spectroscopy, Molecular Biology, General Medicine, Catalysis}}, number = {{8}}, publisher = {{MDPI AG}}, title = {{{Investigation of the Compatibility between Warheads and Peptidomimetic Sequences of Protease Inhibitors—A Comprehensive Reactivity and Selectivity Study}}}, doi = {{10.3390/ijms24087226}}, volume = {{24}}, year = {{2023}}, } @article{50368, abstract = {{AbstractAfter 50 years, there is still an ongoing debate about the Limits to Growth (LtG) study. This paper recalibrates the 2005 World3‐03 model. The input parameters are changed to better match empirical data on world development. An iterative method is used to compute and optimize different parameter sets. This improved parameter set results in a World3 simulation that shows the same overshoot and collapse mode in the coming decade as the original business as usual scenario of the LtG standard run. The main effect of the recalibration update is to raise the peaks of most variables and move them a few years into the future. The parameters with the largest relative changes are those related to industrial capital lifetime, pollution transmission delay, and urban‐industrial land development time.}}, author = {{Nebel, Arjuna and Kling, Alexander and Willamowski, Ruben and Schell, Tim}}, issn = {{1088-1980}}, journal = {{Journal of Industrial Ecology}}, keywords = {{General Social Sciences, General Environmental Science}}, publisher = {{Wiley}}, title = {{{Recalibration of limits to growth: An update of the World3 model}}}, doi = {{10.1111/jiec.13442}}, year = {{2023}}, } @inproceedings{50503, author = {{Weckert, Christoph and Solis-Vasquez, Leonardo and Oppermann, Julian and Koch, Andreas and Sinnen, Oliver}}, booktitle = {{Proceedings of the SC '23 Workshops of The International Conference on High Performance Computing, Network, Storage, and Analysis}}, publisher = {{ACM}}, title = {{{Altis-SYCL: Migrating Altis Benchmarking Suite from CUDA to SYCL for GPUs and FPGAs}}}, doi = {{10.1145/3624062.3624542}}, year = {{2023}}, } @inproceedings{47546, author = {{Contini, Nicholas and Ramesh, Bharath and Kandadi Suresh, Kaushik and Tran, Tu and Michalowicz, Ben and Abduljabbar, Mustafa and Subramoni, Hari and Panda, Dhabaleswar}}, booktitle = {{Proceedings of the 37th International Conference on Supercomputing}}, publisher = {{ACM}}, title = {{{Enabling Reconfigurable HPC through MPI-based Inter-FPGA Communication}}}, doi = {{10.1145/3577193.3593720}}, year = {{2023}}, } @unpublished{43439, abstract = {{This preprint makes the claim of having computed the $9^{th}$ Dedekind Number. This was done by building an efficient FPGA Accelerator for the core operation of the process, and parallelizing it on the Noctua 2 Supercluster at Paderborn University. The resulting value is 286386577668298411128469151667598498812366. This value can be verified in two steps. We have made the data file containing the 490M results available, each of which can be verified separately on CPU, and the whole file sums to our proposed value.}}, author = {{Van Hirtum, Lennart and De Causmaecker, Patrick and Goemaere, Jens and Kenter, Tobias and Riebler, Heinrich and Lass, Michael and Plessl, Christian}}, booktitle = {{arXiv:2304.03039}}, title = {{{A computation of D(9) using FPGA Supercomputing}}}, year = {{2023}}, } @unpublished{50171, abstract = {{We use QCD kinetic theory to compute photon production in the chemically equilibrating Quark-Gluon Plasma created in the early stages of high-energy heavy-ion collisions. We do a detailed comparison of pre-equilibrium photon rates to the thermal photon production. We show that the photon spectrum radiated from a hydrodynamic attractor evolution satisfies a simple scaling form in terms of the specific shear viscosity $\eta/s$ and entropy density $dS/d\zeta \sim {\scriptstyle \left(T\tau^{1/3}\right)^{3/2}}_\infty$. We confirm the analytical predictions with numerical kinetic theory simulations. We use the extracted scaling function to compute the pre-equilibrium photon contribution in $\sqrt{s_{NN}}=2.76\,\text{TeV}$ 0-20\% PbPb collisions. We demonstrate that our matching procedure allows for a smooth switching from pre-equilibrium kinetic to thermal hydrodynamic photon production. Finally, our publicly available implementation can be straightforwardly added to existing heavy ion models.}}, author = {{Oscar Garcia-Montero, Oscar Garcia-Montero and Mazeliauskas, Aleksas and Plaschke, Philip and Schlichting, Sören}}, booktitle = {{arXiv:2308.09747}}, title = {{{Pre-equilibrium photons from the early stages of heavy-ion collisions}}}, year = {{2023}}, } @inproceedings{46283, author = {{Banh, Ngoc Chi and Scharlau, Ingrid}}, booktitle = {{Abstracts of the 65th TeaP}}, editor = {{Merz, Simon and Frings, Christian and Leuchtenberg, Bettina and Moeller, Birte and Mueller, Stefanie and Neumann, Roland and Pastötter, Bernhard and Pingen, Leah and Schui, Gabriel}}, location = {{Trier, Germany}}, publisher = {{ZPID (Leibniz Institute for Psychology)}}, title = {{{First steps towards real-time assessment of attentional weights and capacity according to TVA}}}, doi = {{10.23668/PSYCHARCHIVES.12945}}, year = {{2023}}, } @inproceedings{46188, author = {{Faj, Jennifer and Kenter, Tobias and Faghih-Naini, Sara and Plessl, Christian and Aizinger, Vadym}}, booktitle = {{Proceedings of the Platform for Advanced Scientific Computing Conference (PASC)}}, publisher = {{ACM}}, title = {{{Scalable Multi-FPGA Design of a Discontinuous Galerkin Shallow-Water Model on Unstructured Meshes}}}, doi = {{10.1145/3592979.3593407}}, year = {{2023}}, } @inproceedings{46189, author = {{Prouveur, Charles and Haefele, Matthieu and Kenter, Tobias and Voss, Nils}}, booktitle = {{Proceedings of the Platform for Advanced Scientific Computing Conference (PASC)}}, publisher = {{ACM}}, title = {{{FPGA Acceleration for HPC Supercapacitor Simulations}}}, doi = {{10.1145/3592979.3593419}}, year = {{2023}}, } @inproceedings{53435, author = {{Jentzsch, Felix}}, booktitle = {{2023 33rd International Conference on Field-Programmable Logic and Applications (FPL)}}, publisher = {{IEEE}}, title = {{{Hardware-Aware AutoML for Exploration of Custom FPGA Accelerators for RadioML}}}, doi = {{10.1109/fpl60245.2023.00066}}, year = {{2023}}, } @misc{45762, author = {{Simon-Mertens, Florian}}, publisher = {{Paderborn University}}, title = {{{Effizienzanalyse leichtgewichtiger Neuronaler Netze für FPGA-basierte Modulationsklassifikation}}}, year = {{2023}}, } @article{54854, abstract = {{Batteries based on heavier alkali ions are considered promising candidates to substitute for current Li-based technologies. In this theoretical study, we characterize the structural properties of a novel material, i.e., F-doped RbTiOPO4 (RbTiPO4F, RTP:F), and discuss aspects of its electrochemical performance in Rb-ion batteries (RIBs) using density functional theory (DFT). According to our calculations, RTP:F is expected to retain the so-called KTiOPO4 (KTP)-type structure, with lattice parameters of 13.236 Å, 6.616 Å, and 10.945 Å. Due to the doping with F, the crystal features eight extra electrons per unit cell, whereby each of these electrons is trapped by one of the surrounding Ti atoms in the cell. Notably, the ground state of the system corresponds to a ferromagnetic spin configuration (i.e., S=4). The deintercalation of Rb leads to the oxidation of the Ti atoms in the cell (i.e., from Ti3+ to Ti4+) and to reduced magnetic moments. The material promises interesting electrochemical properties for the cathode: rather high average voltages above 2.8 V and modest volume shrinkages below 13% even in the fully deintercalated case are predicted.}}, author = {{Bocchini, Adriana and Xie, Yingjie and Schmidt, Wolf Gero and Gerstmann, Uwe}}, issn = {{2073-4352}}, journal = {{Crystals}}, number = {{1}}, publisher = {{MDPI AG}}, title = {{{Structural and Electrochemical Properties of F-Doped RbTiOPO4 (RTP:F) Predicted from First Principles}}}, doi = {{10.3390/cryst14010005}}, volume = {{14}}, year = {{2023}}, } @article{54853, abstract = {{The nitrogen-vacancy (NV) centers (NCVSi)− in 4H silicon carbide (SiC) constitute an ensemble of spin S = 1 solid state qubits interacting with the surrounding 14N and 29Si nuclei. As quantum applications based on a polarization transfer from the electron spin to the nuclei require the knowledge of the electron–nuclear interaction parameters, we have used high-frequency (94 GHz) electron–nuclear double resonance spectroscopy combined with first-principles density functional theory to investigate the hyperfine and nuclear quadrupole interactions of the basal and axial NV centers. We observed that the four inequivalent NV configurations (hk, kh, hh, and kk) exhibit different electron–nuclear interaction parameters, suggesting that each NV center may act as a separate optically addressable qubit. Finally, we rationalized the observed differences in terms of distinctions in the local atomic structures of the NV configurations. Thus, our results provide the basic knowledge for an extension of quantum protocols involving the 14N nuclear spin.}}, author = {{Murzakhanov, F. F. and Sadovnikova, M. A. and Mamin, G. V. and Nagalyuk, S. S. and von Bardeleben, H. J. and Schmidt, Wolf Gero and Biktagirov, Timur and Gerstmann, Uwe and Soltamov, V. A.}}, issn = {{0021-8979}}, journal = {{Journal of Applied Physics}}, number = {{12}}, publisher = {{AIP Publishing}}, title = {{{14N Hyperfine and nuclear interactions of axial and basal NV centers in 4H-SiC: A high frequency (94 GHz) ENDOR study}}}, doi = {{10.1063/5.0170099}}, volume = {{134}}, year = {{2023}}, } @article{54851, abstract = {{Composites of different graphene oxide types, TiO2 materials, and especially synthetic routes influence the photocatalytic activity of the resulting material.}}, author = {{Rosenthal, Marta and Biktagirov, Timur and Schmidt, Wolf Gero and Wilhelm, René}}, issn = {{2044-4753}}, journal = {{Catalysis Science & Technology}}, number = {{15}}, pages = {{4367--4377}}, publisher = {{Royal Society of Chemistry (RSC)}}, title = {{{Synthesis of new graphene oxide/TiO2 and TiO2/SiO2 nanocomposites and their evaluation as photocatalysts}}}, doi = {{10.1039/d3cy00461a}}, volume = {{13}}, year = {{2023}}, } @article{54850, author = {{Meier, Lukas and Schmidt, Wolf Gero}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, number = {{4}}, pages = {{1973--1980}}, publisher = {{American Chemical Society (ACS)}}, title = {{{Adsorption of Cyclic (Alkyl) (Amino) Carbenes on Monohydride Si(001) Surfaces: Interface Bonding and Electronic Properties}}}, doi = {{10.1021/acs.jpcc.2c07316}}, volume = {{127}}, year = {{2023}}, } @article{50012, abstract = {{Silicon photonics, in conjunction with complementary metal-oxide-semiconductor (CMOS) fabrication, has greatly enhanced the development of integrated optical phased arrays. This facilitates a dynamic control of light in a compact form factor that enables the synthesis of arbitrary complex wavefronts in the infrared spectrum. We numerically demonstrate a large-scale two-dimensional silicon-based optical phased array (OPA) composed of nanoantennas with circular gratings that are balanced in power and aligned in phase, required for producing elegant radiation patterns in the far-field. For a wavelength of 1.55 μm, we optimize two antennas for the OPA exhibiting an upward radiation efficiency as high as 90%, with almost 6.8% of optical power concentrated in the field of view. Additionally, we believe that the proposed OPAs can be easily fabricated and would have the ability to generate complex holographic images, rendering them an attractive candidate for a wide range of applications like LiDAR sensors, optical trapping, optogenetic stimulation, and augmented-reality displays.}}, author = {{Farheen, Henna and Strauch, Andreas and Scheytt, J. Christoph and Myroshnychenko, Viktor and Förstner, Jens}}, issn = {{1569-4410}}, journal = {{Photonics and Nanostructures - Fundamentals and Applications}}, keywords = {{tet_topic_opticalantenna}}, pages = {{101207}}, publisher = {{Elsevier BV}}, title = {{{Optimized, Highly Efficient Silicon Antennas for Optical Phased Arrays}}}, doi = {{10.1016/j.photonics.2023.101207}}, volume = {{58}}, year = {{2023}}, }