@article{SchimunekSeidlElezetal.2024, author = {Schimunek, Johannes and Seidl, Philipp and Elez, Katarina and Hempel, Tim and Le, Tuan and No{\´e}, Frank and Olsson, Simon and Raich, Llu{\´i}s and Winter, Robin and Gokcan, Hatice and Gusev, Filipp and Gutkin, Evgeny M. and Isayev, Olexandr and Kurnikova, Maria G. and Narangoda, Chamali H. and Zubatyuk, Roman and Bosko, Ivan P. and Furs, Konstantin V. and Karpenko, Anna D. and Kornoushenko, Yury V. and Shuldau, Mikita and Yushkevich, Artsemi and Benabderrahmane, Mohammed B. and Bousquet-Melou, Patrick and Bureau, Ronan and Charton, Beatrice and Cirou, Bertrand C. and Gil, G{\´e}rard and Allen, William J. and Sirimulla, Suman and Watowich, Stanley and Antonopoulos, Nick and Epitropakis, Nikolaos and Krasoulis, Agamemnon and Itsikalis, Vassilis and Theodorakis, Stavros and Kozlovskii, Igor and Maliutin, Anton and Medvedev, Alexander and Popov, Petr and Zaretckii, Mark and Eghbal-Zadeh, Hamid and Halmich, Christina and Hochreiter, Sepp and Mayr, Andreas and Ruch, Peter and Widrich, Michael and Berenger, Francois and Kumar, Ashutosh and Yamanishi, Yoshihiro and Zhang, Kam Y. J. and Bengio, Emmanuel and Bengio, Yoshua and Jain, Moksh J. and Korablyov, Maksym and Liu, Cheng-Hao and Marcou, Gilles and Glaab, Enrico and Barnsley, Kelly and Iyengar, Suhasini M. and Ondrechen, Mary Jo and Haupt, V. Joachim and Kaiser, Florian and Schroeder, Michael and Pugliese, Luisa and Albani, Simone and Athanasiou, Christina and Beccari, Andrea and Carloni, Paolo and D'Arrigo, Giulia and Gianquinto, Eleonora and Goßen, Jonas and Hanke, Anton and Joseph, Benjamin P. and Kokh, Daria B. and Kovachka, Sandra and Manelfi, Candida and Mukherjee, Goutam and Mu{\~n}iz-Chicharro, Abraham and Musiani, Francesco and Nunes-Alves, Ariane and Paiardi, Giulia and Rossetti, Giulia and Sadiq, S. Kashif and Spyrakis, Francesca and Talarico, Carmine and Tsengenes, Alexandros and Wade, Rebecca C. and Copeland, Conner and Gaiser, Jeremiah and Olson, Daniel R. and Roy, Amitava and Venkatraman, Vishwesh and Wheeler, Travis J. and Arthanari, Haribabu and Blaschitz, Klara and Cespugli, Marco and Durmaz, Vedat and Fackeldey, Konstantin and Fischer, Patrick D. and Gorgulla, Christoph and Gruber, Christian and Gruber, Karl and Hetmann, Michael and Kinney, Jamie E. and Padmanabha Das, Krishna M. and Pandita, Shreya and Singh, Amit and Steinkellner, Georg and Tesseyre, Guilhem and Wagner, Gerhard and Wang, Zi-Fu and Yust, Ryan J. and Druzhilovskiy, Dmitry S. and Filimonov, Dmitry A. and Pogodin, Pavel V. and Poroikov, Vladimir and Rudik, Anastassia V. and Stolbov, Leonid A. and Veselovsky, Alexander V. and De Rosa, Maria and De Simone, Giada and Gulotta, Maria R. and Lombino, Jessica and Mekni, Nedra and Perricone, Ugo and Casini, Arturo and Embree, Amanda and Gordon, D. Benjamin and Lei, David and Pratt, Katelin and Voigt, Christopher A. and Chen, Kuang-Yu and Jacob, Yves and Krischuns, Tim and Lafaye, Pierre and Zettor, Agn{\`e}s and Rodr{\´i}guez, M. Luis and White, Kris M. and Fearon, Daren and Von Delft, Frank and Walsh, Martin A. and Horvath, Dragos and Brooks III, Charles L. and Falsafi, Babak and Ford, Bryan and Garc{\´i}a-Sastre, Adolfo and Yup Lee, Sang and Naffakh, Nadia and Varnek, Alexandre and Klambauer, G{\"u}nter and Hermans, Thomas M.}, title = {A community effort in SARS-CoV-2 drug discovery}, volume = {43}, journal = {Molecular Informatics}, number = {1}, doi = {https://doi.org/10.1002/minf.202300262}, pages = {e202300262}, year = {2024}, language = {en} } @article{GroetschelHarary1979, author = {Gr{\"o}tschel, Martin and Harary, Frank}, title = {The Graphs for which All Strong Orientations Are Hamiltonian}, volume = {3}, journal = {Journal of Graph Theory}, pages = {221 -- 223}, year = {1979}, language = {en} } @article{EnkeSteinmetzAdorfetal.2011, author = {Enke, Harry and Steinmetz, Matthias and Adorf, Hans-Martin and Beck-Ratzka, Alexander and Breitling, Frank and Br{\"u}semeister, Thomas and Carlson, Arthur and Ensslin, Torsten and H{\"o}gqvist, Mikael and Nickelt, Iliya and Radke, Thomas and Reinefeld, Alexander and Reiser, Angelika and Scholl, Tobias and Spurzem, Rainer and Steinacker, J{\"u}rgen and Voges, Wolfgang and Wambsganß, Joachim and White, Steve}, title = {AstroGrid-D: Grid technology for astronomical science}, volume = {16}, journal = {New Astronomy}, number = {2}, doi = {10.1016/j.newast.2010.07.005}, pages = {79 -- 93}, year = {2011}, language = {en} } @article{HammerschmidtLockauBurgeretal.2013, author = {Hammerschmidt, Martin and Lockau, Daniel and Burger, Sven and Schmidt, Frank and Schwanke, Christoph and Kirner, Simon and Calnan, Sonya and Stannowski, Bernd and Rech, Bernd}, title = {FEM-based optical modeling of silicon thin-film tandem solar cells with randomly textured interfaces in 3D}, volume = {8620}, journal = {Proc. SPIE}, doi = {10.1117/12.2001789}, pages = {86201H}, year = {2013}, language = {en} } @article{LockauSontheimerPreideletal.2014, author = {Lockau, Daniel and Sontheimer, Tobias and Preidel, Veit and Ruske, Florian and Hammerschmidt, Martin and Becker, Christiane and Schmidt, Frank and Rech, Bernd}, title = {Advanced microhole arrays for light trapping in thin film silicon solar cells}, volume = {125}, journal = {Solar Energy Materials and Solar Cells}, doi = {10.1016/j.solmat.2013.11.024}, pages = {298 -- 304}, year = {2014}, language = {en} } @article{KirnerHammerschmidtSchwankeetal.2014, author = {Kirner, Simon and Hammerschmidt, Martin and Schwanke, Christoph and Lockau, Daniel and Calnan, Sonya and Frijnts, Tim and Neubert, Sebastian and Sch{\"o}pke, Andreas and Schmidt, Frank and Zollondz, Jens-Hendrik and Heidelberg, Andreas and Stannowski, Bernd and Rech, Bernd and Schlatmann, Rutger}, title = {Implications of TCO Topography on Intermediate Reflector Design for a-Si/μc-Si Tandem Solar Cells — Experiments and Rigorous Optical Simulations}, volume = {4}, journal = {IEEE Journal of Photovoltaics}, number = {1}, doi = {10.1109/JPHOTOV.2013.2279204}, pages = {10 -- 15}, year = {2014}, language = {en} } @article{JaegerKoeppelBarthetal.2016, author = {J{\"a}ger, Klaus and K{\"o}ppel, Grit and Barth, Carlo and Hammerschmidt, Martin and Herrmann, Sven and Burger, Sven and Schmidt, Frank and Becker, Christiane}, title = {Sinusoidal gratings for optimized light management in c-Si thin-film solar cells}, volume = {9898}, journal = {Proc. SPIE}, doi = {10.1117/12.2225459}, pages = {989808}, year = {2016}, language = {en} } @article{PakhomovLoechnerZschiedrichetal.2020, author = {Pakhomov, Anton and L{\"o}chner, Franz and Zschiedrich, Lin and Saravi, Sina and Hammerschmidt, Martin and Burger, Sven and Pertsch, Thomas and Setzpfand, Frank}, title = {Far-field polarization signatures of surface optical nonlinearity in noncentrosymmetric semiconductors}, volume = {10}, journal = {Sci. Rep.}, doi = {10.1038/s41598-020-67186-0}, pages = {10545}, year = {2020}, language = {en} } @article{AlhaddadFoerstnerGrothetal.2021, author = {Alhaddad, Samer and F{\"o}rstner, Jens and Groth, Stefan and Gr{\"u}newald, Daniel and Grynko, Yevgen and Hannig, Frank and Kenter, Tobias and Pfreundt, Franz-Josef and Plessl, Christian and Schotte, Merlind and Steinke, Thomas and Teich, J{\"u}rgen and Weiser, Martin and Wende, Florian}, title = {HighPerMeshes - A Domain-Specific Language for Numerical Algorithms on Unstructured Grids}, journal = {Euro-Par 2020: Parallel Processing Workshops.}, publisher = {Springer}, doi = {10.1007/978-3-030-71593-9_15}, pages = {185 -- 196}, year = {2021}, abstract = {Solving partial differential equations on unstructured grids is a cornerstone of engineering and scientific computing. Nowadays, heterogeneous parallel platforms with CPUs, GPUs, and FPGAs enable energy-efficient and computationally demanding simulations. We developed the HighPerMeshes C++-embedded Domain-Specific Language (DSL) for bridging the abstraction gap between the mathematical and algorithmic formulation of mesh-based algorithms for PDE problems on the one hand and an increasing number of heterogeneous platforms with their different parallel programming and runtime models on the other hand. Thus, the HighPerMeshes DSL aims at higher productivity in the code development process for multiple target platforms. We introduce the concepts as well as the basic structure of the HighPer-Meshes DSL, and demonstrate its usage with three examples, a Poisson and monodomain problem, respectively, solved by the continuous finite element method, and the discontinuous Galerkin method for Maxwell's equation. The mapping of the abstract algorithmic description onto parallel hardware, including distributed memory compute clusters is presented. Finally, the achievable performance and scalability are demonstrated for a typical example problem on a multi-core CPU cluster.}, language = {en} } @article{AndrleHoenickeSchneideretal.2019, author = {Andrle, Anna and H{\"o}nicke, Philipp and Schneider, Philipp-Immanuel and Kayser, Yves and Hammerschmidt, Martin and Burger, Sven and Scholze, Frank and Beckhoff, Burkhard and Soltwisch, Victor}, title = {Grazing incidence x-ray fluorescence based characterization of nanostructures for element sensitive profile reconstruction}, volume = {11057}, journal = {Proc. SPIE}, arxiv = {http://arxiv.org/abs/2104.13749}, doi = {10.1117/12.2526082}, pages = {110570M}, year = {2019}, language = {en} } @article{JaegerBarthHammerschmidtetal.2016, author = {J{\"a}ger, Klaus and Barth, Carlo and Hammerschmidt, Martin and Herrmann, Sven and Burger, Sven and Schmidt, Frank and Becker, Christiane}, title = {Simulations of sinusoidal nanotextures for coupling light into c-Si thin-film solar cells}, volume = {24}, journal = {Opt. Express}, doi = {10.1364/OE.24.00A569}, pages = {A569}, year = {2016}, language = {en} } @article{GutschePoulikakosHammerschmidtetal.2016, author = {Gutsche, Philipp and Poulikakos, Lisa and Hammerschmidt, Martin and Burger, Sven and Schmidt, Frank}, title = {Time-harmonic optical chirality in inhomogeneous space}, volume = {9756}, journal = {Proc. SPIE}, arxiv = {http://arxiv.org/abs/1603.05011}, doi = {10.1117/12.2209551}, pages = {97560X}, year = {2016}, language = {en} } @article{HammerschmidtBarthPomplunetal.2016, author = {Hammerschmidt, Martin and Barth, Carlo and Pomplun, Jan and Burger, Sven and Becker, Christiane and Schmidt, Frank}, title = {Reconstruction of photonic crystal geometries using a reduced basis method for nonlinear outputs}, volume = {9756}, journal = {Proc. SPIE}, doi = {10.1117/12.2212482}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-58187}, pages = {97561R}, year = {2016}, abstract = {Maxwell solvers based on the hp-adaptive finite element method allow for accurate geometrical modeling and high numerical accuracy. These features are indispensable for the optimization of optical properties or reconstruction of parameters through inverse processes. High computational complexity prohibits the evaluation of the solution for many parameters. We present a reduced basis method (RBM) for the time-harmonic electromagnetic scattering problem allowing to compute solutions for a parameter configuration orders of magnitude faster. The RBM allows to evaluate linear and nonlinear outputs of interest like Fourier transform or the enhancement of the electromagnetic field in milliseconds. We apply the RBM to compute light-scattering off two dimensional photonic crystal structures made of silicon and reconstruct geometrical parameters.}, language = {en} } @article{HammerschmidtHerrmannPomplunetal.2016, author = {Hammerschmidt, Martin and Herrmann, Sven and Pomplun, Jan and Burger, Sven and Schmidt, Frank}, title = {Model order reduction for the time-harmonic Maxwell equation applied to complex nanostructures}, volume = {9742}, journal = {Proc. SPIE}, doi = {10.1117/12.2212367}, pages = {97420M}, year = {2016}, abstract = {Fields such as optical metrology and computational lithography require fast and efficient methods for solving the time-harmonic Maxwell's equation. Highly accurate geometrical modelling and numerical accuracy at low computational costs are a prerequisite for any simulation study of complex nano-structured photonic devices. We present a reduced basis method (RBM) for the time-harmonic electromagnetic scattering problem based on the hp-adaptive finite element solver JCMsuite capable of handling geometric and non-geometric parameter dependencies allowing for online evaluations in milliseconds. We apply the RBM to compute light-scattering at optical wavelengths of periodic arrays of fin field-effect transistors (FinFETs) where geometrical properties such as the width and height of the fin and gate can vary in a large range.}, language = {en} } @article{HammerschmidtHerrmannPomplunetal.2016, author = {Hammerschmidt, Martin and Herrmann, Sven and Pomplun, Jan and Burger, Sven and Schmidt, Frank}, title = {Reduced basis method for electromagnetic scattering problem: a case study for FinFETs}, volume = {48}, journal = {Optical and Quantum Electronics}, doi = {10.1007/s11082-016-0530-1}, pages = {250}, year = {2016}, abstract = {Optical 3D simulations in many-query and real-time contexts require new solution strategies. We study an adaptive, error controlled reduced basis method for solving parametrized time-harmonic optical scattering problems. Application fields are, among others, design and optimization problems of nano-optical devices as well as inverse problems for parameter reconstructions occurring e. g. in optical metrology. The reduced basis method pre- sented here relies on a finite element modeling of the scattering problem with parametrization of materials, geometries and sources.}, language = {en} } @article{XieGruberCrampenetal.2025, author = {Xie, Kunpeng and Gruber, Lennart Johannes and Crampen, Martin and Li, Yao and Ferreira, Andr{\´e} and Tappeiner, Elias and Gillot, Maxime and Schepers, Jan and Xu, Jiangchang and Pankert, Tobias and Beyer, Michel and Shahamiri, Negar and ten Brink, Reinier and Dot, Gauthier and Weschke, Charlotte and van Nistelrooij, Niels and Verhelst, Pieter-Jan and Guo, Yan and Xu, Zhibin and Bienzeisler, Jonas and Rashad, Ashkan and Fl{\"u}gge, Tabea and Cotton, Ross and Vinayahalingam, Shankeeth and Ilesan, Robert and Raith, Stefan and Madsen, Dennis and Seibold, Constantin and Xi, Tong and Berg{\´e}, Stefaan and Nebelung, Sven and Kodym, Oldřich and Sundqvist, Osku and Thieringer, Florian and Lamecker, Hans and Coppens, Antoine and Potrusil, Thomas and Kraeima, Joep and Witjes, Max and Wu, Guomin and Chen, Xiaojun and Lambrechts, Adriaan and Cevidanes, Lucia H Soares and Zachow, Stefan and Hermans, Alexander and Truhn, Daniel and Alves, Victor and Egger, Jan and R{\"o}hrig, Rainer and H{\"o}lzle, Frank and Puladi, Behrus}, title = {Beyond Benchmarks: Towards Robust Artificial Intelligence Bone Segmentation in Socio-Technical Systems}, volume = {299}, journal = {Expert Systems With Applications}, number = {Part D}, doi = {10.1016/j.eswa.2025.130031}, year = {2025}, abstract = {Despite the advances in automated medical image segmentation, AI models still underperform in various clinical settings, challenging real-world integration. In this multicenter evaluation, we analyzed 20 state-of-the-art mandibular segmentation models across 19,218 segmentations of 1,000 clinically resampled CT/CBCT scans. We show that segmentation accuracy varies by up to 25\% depending on socio-technical factors such as voxel size, bone orientation, and patient conditions such as osteosynthesis or pathology. Higher sharpness, isotropic smaller voxels, and neutral orientation significantly improved results, while metallic osteosynthesis and anatomical complexity led to significant degradation. Our findings challenge the common view of AI models as "plug-and-play" tools and suggest evidence-based optimization recommendations for both clinicians and developers. This will in turn boost the integration of AI segmentation tools in routine healthcare.}, language = {en} } @article{AlhaddadFoerstnerGrothetal.2022, author = {Alhaddad, Samer and F{\"o}rstner, Jens and Groth, Stefan and Gr{\"u}newald, Daniel and Grynko, Yevgen and Hannig, Frank and Kenter, Tobias and Pfreundt, F.J. and Plessl, Christian and Schotte, Merlind and Steinke, Thomas and Teich, J. and Weiser, Martin and Wende, Florian}, title = {The HighPerMeshes Framework for Numerical Algorithms on Unstructured Grids}, volume = {34}, journal = {Concurrency and Computation: Practice and Experience}, number = {14}, doi = {10.1002/cpe.6616}, year = {2022}, abstract = {Solving PDEs on unstructured grids is a cornerstone of engineering and scientific computing. Heterogeneous parallel platforms, including CPUs, GPUs, and FPGAs, enable energy-efficient and computationally demanding simulations. In this article, we introduce the HPM C++-embedded DSL that bridges the abstraction gap between the mathematical formulation of mesh-based algorithms for PDE problems on the one hand and an increasing number of heterogeneous platforms with their different programming models on the other hand. Thus, the HPM DSL aims at higher productivity in the code development process for multiple target platforms. We introduce the concepts as well as the basic structure of the HPM DSL, and demonstrate its usage with three examples. The mapping of the abstract algorithmic description onto parallel hardware, including distributed memory compute clusters, is presented. A code generator and a matching back end allow the acceleration of HPM code with GPUs. Finally, the achievable performance and scalability are demonstrated for different example problems.}, language = {en} } @article{PakhomovHammerschmidtBurgeretal.2021, author = {Pakhomov, Anton V. and Hammerschmidt, Martin and Burger, Sven and Pertsch, Thomas and Setzpfand, Frank}, title = {Modeling of surface-induced second-harmonic generation from multilayer structures by the transfer matrix method}, volume = {29}, journal = {Opt. Express}, doi = {10.1364/OE.417066}, pages = {9098}, year = {2021}, language = {en} } @article{FrankFuegenschuhHertyetal.2010, author = {Frank, Martin and F{\"u}genschuh, Armin and Herty, Michael and Schewe, Lars}, title = {The Coolest Path Problem}, volume = {5}, journal = {Networks and Heterogeneous Media}, number = {1}, pages = {143 -- 162}, year = {2010}, language = {en} }