@article{SchimunekSeidlElezetal.2023, 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}, series = {Molecular Informatics}, volume = {43}, journal = {Molecular Informatics}, number = {1}, doi = {https://doi.org/10.1002/minf.202300262}, pages = {e202300262}, year = {2023}, language = {en} } @misc{FrankFuegenschuhHertyetal., author = {Frank, Martin and F{\"u}genschuh, Armin and Herty, Michael and Schewe, Lars}, title = {The Coolest Path Problem}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-11571}, number = {09-37}, abstract = {We introduce the coolest path problem, which is a mixture of two well-known problems from distinct mathematical fields. One of them is the shortest path problem from combinatorial optimization. The other is the heat conduction problem from the field of partial differential equations. Together, they make up a control problem, where some geometrical object traverses a digraph in an optimal way, with constraints on intermediate or the final state. We discuss some properties of the problem and present numerical solution techniques. We demonstrate that the problem can be formulated as a linear mixed-integer program. Numerical solutions can thus be achieved within one hour for instances with up to 70 nodes in the graph.}, language = {en} } @article{GroetschelHarary1979, author = {Gr{\"o}tschel, Martin and Harary, Frank}, title = {The Graphs for which All Strong Orientations Are Hamiltonian}, series = {Journal of Graph Theory}, 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}, series = {New Astronomy}, volume = {16}, journal = {New Astronomy}, number = {2}, doi = {10.1016/j.newast.2010.07.005}, pages = {79 -- 93}, year = {2011}, language = {en} } @inproceedings{HammerschmidtLockauBurgeretal.2012, 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 = {3D optical modeling of thin-film a-Si/mc-Si tandem solar cells with random textured interfaces using FEM}, series = {Renewable Energy and the Environment Optics and Photonics Congress}, booktitle = {Renewable Energy and the Environment Optics and Photonics Congress}, publisher = {Optical Society of America}, doi = {10.1364/E2.2012.JM5A.15}, pages = {JM5A.15}, year = {2012}, 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}, series = {Proc. SPIE}, volume = {8620}, journal = {Proc. SPIE}, doi = {10.1117/12.2001789}, pages = {86201H}, year = {2013}, language = {en} } @inproceedings{ZschiedrichGreinerPomplunetal.2012, author = {Zschiedrich, Lin and Greiner, Horst and Pomplun, Jan and Hammerschmidt, Martin and Burger, Sven and Schmidt, Frank}, title = {FEM simulations of light extraction from nanostructured organic light-emitting diodes}, series = {Renewable Energy and the Environment Optics and Photonics Congress}, booktitle = {Renewable Energy and the Environment Optics and Photonics Congress}, publisher = {Optical Society of America}, doi = {10.1364/SOLED.2012.LT2B.5}, pages = {LT2B.5}, year = {2012}, language = {en} } @article{GutschePoulikakosHammerschmidtetal., author = {Gutsche, Philipp and Poulikakos, Lisa and Hammerschmidt, Martin and Burger, Sven and Schmidt, Frank}, title = {Time-harmonic optical chirality in inhomogeneous space}, series = {Proc. SPIE}, volume = {9756}, journal = {Proc. SPIE}, doi = {10.1117/12.2209551}, pages = {97560X}, language = {en} } @misc{GutschePoulikakosBurgeretal., author = {Gutsche, Philipp and Poulikakos, Lisa and Burger, Sven and Hammerschmidt, Martin and Schmidt, Frank}, title = {Optical chirality: conservation law in arbitrary space}, series = {606. WE-Heraeus-Seminar on Nanophotonics and Complex Spatial Modes of Light}, journal = {606. WE-Heraeus-Seminar on Nanophotonics and Complex Spatial Modes of Light}, abstract = {The introduction of the near-field quantity of optical chirality has emerged in various numerical and few experimental studies of local chirality enhancement due to its relation to the excitation rate of chiral molecules. This time-even pseudoscalar has been dismissed as being a higher-order version of helicity. Nevertheless, we revisit the derivation of the underlying conservation law and define optical chirality in media similar to. We identify the mechanism of chirality conversion by either inhomogeneous or anisotropic space to complement the conservation of optical chirality. The conservation law of optical chirality in arbitrary space enables the extension of the concept of polarization to the near-field where no distiniguished propagation direction of light is present. We show that the connection of electromagnetic energy and optical chirality provide the ability to define a circular polarization basis in time-harmonic near-field analysis. In order to illustrate our theory, we present electromagnetic field simulations of simple as well as more complex nanostructures. Results using the well-known far-field polarization concept are readily reproduced and extended from the point of view of chirality conversion.}, language = {en} } @article{HammerschmidtBarthPomplunetal., 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}, series = {Proc. SPIE}, volume = {9756}, journal = {Proc. SPIE}, doi = {10.1117/12.2212482}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-58187}, pages = {97561R}, 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., 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}, series = {Proc. SPIE}, volume = {9742}, journal = {Proc. SPIE}, doi = {10.1117/12.2212367}, pages = {97420M}, 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., 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}, series = {Optical and Quantum Electronics}, volume = {48}, journal = {Optical and Quantum Electronics}, doi = {10.1007/s11082-016-0530-1}, pages = {250}, 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{JaegerBarthHammerschmidtetal., 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}, series = {Opt. Express}, volume = {24}, journal = {Opt. Express}, doi = {10.1364/OE.24.00A569}, pages = {A569}, language = {en} } @misc{HammerschmidtPomplunBurgeretal., author = {Hammerschmidt, Martin and Pomplun, Jan and Burger, Sven and Schmidt, Frank}, title = {Adaptive sampling strategies for efficient parameter scans in nano-photonic device simulations}, issn = {1438-0064}, doi = {10.1117/12.2036363}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-50395}, abstract = {Rigorous optical simulations are an important tool in optimizing scattering properties of nano-photonic devices and are used, for example, in solar cell optimization. The finite element method (FEM) yields rigorous, time-harmonic, high accuracy solutions of the full 3D vectorial Maxwell's equations [1] and furthermore allows for great flexibility and accuracy in the geometrical modeling of these often complex shaped 3D nano-structures. A major drawback of frequency domain methods is the limitation of single frequency evaluations. For example the accurate computation of the short circuit current density of an amorphous silicon / micro-crystalline multi-junction thin film solar cell may require the solution of Maxwell's equations for over a hundred different wavelengths if an equidistant sampling strategy is employed. Also in optical metrology, wavelength scans are frequently used to reconstruct unknown geometrical and material properties of optical systems numerically from measured scatterometric data. In our contribution we present several adaptive numerical integration and sampling routines and study their efficiency in the context of the determination of generation rate profiles of solar cells. We show that these strategies lead to a reduction in the computational effort without loss of accuracy. We discuss the employment of tangential information in a Hermite interpolation scheme to achieve similar accuracy on coarser grids. We explore the usability of these strategies for scatterometry and solar cell simulations.}, language = {en} } @misc{HammerschmidtLockauZschiedrichetal., author = {Hammerschmidt, Martin and Lockau, Daniel and Zschiedrich, Lin and Schmidt, Frank}, title = {Optical modelling of incoherent substrate light-trapping in silicon thin film multi-junction solar cells with finite elements and domain decomposition}, issn = {1438-0064}, doi = {10.1117/12.2036346}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-50410}, abstract = {In many experimentally realized applications, e.g. photonic crystals, solar cells and light-emitting diodes, nano-photonic systems are coupled to a thick substrate layer, which in certain cases has to be included as a part of the optical system. The finite element method (FEM) yields rigorous, high accuracy solutions of full 3D vectorial Maxwell's equations [1] and allows for great flexibility and accuracy in the geometrical modelling. Time-harmonic FEM solvers have been combined with Fourier methods in domain decomposition algorithms to compute coherent solutions of these coupled system. [2,3] The basic idea of a domain decomposition approach lies in a decomposition of the domain into smaller subdomains, separate calculations of the solutions and coupling of these solutions on adjacent subdomains. In experiments light sources are often not perfectly monochromatic and hence a comparision to simulation results might only be justified if the simulation results, which include interference patterns in the substrate, are spectrally averaged. In this contribution we present a scattering matrix domain decomposition algorithm for Maxwell's equations based on FEM. We study its convergence and advantages in the context of optical simulations of silicon thin film multi-junction solar cells. This allows for substrate light-trapping to be included in optical simulations and leads to a more realistic estimation of light path enhancement factors in thin-film devices near the band edge.}, language = {en} } @inproceedings{LockauHammerschmidtHaschkeetal., author = {Lockau, Daniel and Hammerschmidt, Martin and Haschke, Jan and Blome, Mark and Ruske, Florian and Schmidt, Frank and Rech, Bernd}, title = {A comparison of scattering and non-scattering anti-reflection designs for back contacted polycrystalline thin film silicon solar cells in superstrate configuration}, series = {Proc. SPIE}, volume = {9140}, booktitle = {Proc. SPIE}, doi = {10.1117/12.2052362}, pages = {914006}, language = {en} } @misc{LockauHammerschmidtBlomeetal., author = {Lockau, Daniel and Hammerschmidt, Martin and Blome, Mark and Schmidt, Frank}, title = {Optics of thin film solar cells}, series = {MATHEON-Mathematics for Key Technologies}, volume = {1}, journal = {MATHEON-Mathematics for Key Technologies}, editor = {Deuflhard, Peter and et al.,}, publisher = {European Mathematical Society}, doi = {10.4171/137}, pages = {278 -- 279}, language = {en} } @article{FrankFuegenschuhHertyetal.2010, author = {Frank, Martin and F{\"u}genschuh, Armin and Herty, Michael and Schewe, Lars}, title = {The Coolest Path Problem}, series = {Networks and Heterogeneous Media}, volume = {5}, journal = {Networks and Heterogeneous Media}, number = {1}, pages = {143 -- 162}, year = {2010}, language = {en} } @inproceedings{JaegerBarthHammerschmidtetal., author = {J{\"a}ger, Klaus and Barth, Carlo and Hammerschmidt, Martin and Herrmann, Sven and Burger, Sven and Schmidt, Frank and Becker, Christiane}, title = {Sinusoidal Nanotextures for Enhanced Light Management in Thin-Film Solar Cells}, series = {28th Workshop on Quantum Solar Energy Conversion - (QUANTSOL)}, booktitle = {28th Workshop on Quantum Solar Energy Conversion - (QUANTSOL)}, editor = {European Society for Quantum Solar Energy Conversion,}, language = {en} } @article{JaegerKoeppelBarthetal., 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}, series = {Proc. SPIE}, volume = {9898}, journal = {Proc. SPIE}, doi = {10.1117/12.2225459}, pages = {989808}, language = {en} } @inproceedings{BurgerGutscheHammerschmidtetal., author = {Burger, Sven and Gutsche, Philipp and Hammerschmidt, Martin and Herrmann, Sven and Pomplun, Jan and Schmidt, Frank and Wohlfeil, Benjamin and Zschiedrich, Lin}, title = {Hp-finite-elements for simulating electromagnetic fields in optical devices with rough textures}, series = {Proc. SPIE}, volume = {9630}, booktitle = {Proc. SPIE}, doi = {10.1117/12.2190119}, pages = {96300S}, language = {en} } @inproceedings{BurgerHammerschmidtHerrmannetal., author = {Burger, Sven and Hammerschmidt, Martin and Herrmann, Sven and Pomplun, Jan and Schmidt, Frank}, title = {Reduced basis methods for optimization of nano-photonic devices}, series = {Proc. Int. Conf. Numerical Simulation of Optoelectronic Devices (NUSOD)}, booktitle = {Proc. Int. Conf. Numerical Simulation of Optoelectronic Devices (NUSOD)}, doi = {10.1109/NUSOD.2015.7292871}, pages = {159}, language = {en} } @inproceedings{JaegerBarthHammerschmidtetal., author = {J{\"a}ger, Klaus and Barth, Carlo and Hammerschmidt, Martin and Herrmann, Sven and Burger, Sven and Schmidt, Frank and Becker, Christiane}, title = {Sinusoidal Nanotextures for Coupling Light into c-Si Thin-Film Solar Cells}, series = {Light, Energy and the Environement 2015}, booktitle = {Light, Energy and the Environement 2015}, doi = {10.1364/PV.2015.PTu4B.3}, pages = {PTu4B.3}, language = {en} } @inproceedings{BarthJaegerBurgeretal., author = {Barth, Carlo and J{\"a}ger, Klaus and Burger, Sven and Hammerschmidt, Martin and Schmidt, Frank and Becker, Christiane}, title = {Design of Photonic Crystals with Near-Surface Field Enhancement}, series = {Light, Energy and the Environement 2015}, booktitle = {Light, Energy and the Environement 2015}, doi = {10.1364/PV.2015.JTu5A.9}, pages = {JTu5A.9}, language = {en} } @article{LockauSontheimerPreideletal., 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}, series = {Solar Energy Materials and Solar Cells}, volume = {125}, journal = {Solar Energy Materials and Solar Cells}, doi = {10.1016/j.solmat.2013.11.024}, pages = {298 -- 304}, 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}, series = {IEEE Journal of Photovoltaics}, volume = {4}, journal = {IEEE Journal of Photovoltaics}, number = {1}, doi = {10.1109/JPHOTOV.2013.2279204}, pages = {10 -- 15}, year = {2014}, language = {en} } @inproceedings{HammerschmidtPomplunBurgeretal.2014, author = {Hammerschmidt, Martin and Pomplun, Jan and Burger, Sven and Schmidt, Frank}, title = {Adaptive sampling strategies for effcient parameter scans in nano-photonic device simulations}, series = {Proc. SPIE}, volume = {8980}, booktitle = {Proc. SPIE}, publisher = {SPIE}, doi = {10.1117/12.2036363}, pages = {89801O}, year = {2014}, language = {en} } @inproceedings{HammerschmidtLockauZschiedrichetal.2014, author = {Hammerschmidt, Martin and Lockau, Daniel and Zschiedrich, Lin and Schmidt, Frank}, title = {Optical modelling of incoherent substrate light-trapping in silicon thin film multi-junction solar cells with finite elements and domain decomposition}, series = {Proc. SPIE: Physics and Simulation of Optoelectronic Devices XXII}, volume = {8980}, booktitle = {Proc. SPIE: Physics and Simulation of Optoelectronic Devices XXII}, publisher = {SPIE}, doi = {10.1117/12.2036346}, pages = {898007}, year = {2014}, language = {en} } @misc{HammerschmidtHerrmannPomplunetal., author = {Hammerschmidt, Martin and Herrmann, Sven and Pomplun, Jan and Zschiedrich, Lin and Burger, Sven and Schmidt, Frank}, title = {Reduced basis method for Maxwell's equations with resonance phenomena}, series = {Proc. SPIE}, volume = {9630}, journal = {Proc. SPIE}, issn = {1438-0064}, doi = {10.1117/12.2190425}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-55687}, pages = {96300R}, abstract = {Rigorous optical simulations of 3-dimensional nano-photonic structures are an important tool in the analysis and optimization of scattering properties of nano-photonic devices or parameter reconstruction. To construct geometrically accurate models of complex structured nano-photonic devices the finite element method (FEM) is ideally suited due to its flexibility in the geometrical modeling and superior convergence properties. Reduced order models such as the reduced basis method (RBM) allow to construct self-adaptive, error-controlled, very low dimensional approximations for input-output relationships which can be evaluated orders of magnitude faster than the full model. This is advantageous in applications requiring the solution of Maxwell's equations for multiple parameters or a single parameter but in real time. We present a reduced basis method for 3D Maxwell's equations based on the finite element method which allows variations of geometric as well as material and frequency parameters. We demonstrate accuracy and efficiency of the method for a light scattering problem exhibiting a resonance in the electric field.}, language = {en} } @article{PakhomovLoechnerZschiedrichetal., 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}, series = {Sci. Rep.}, volume = {10}, journal = {Sci. Rep.}, doi = {10.1038/s41598-020-67186-0}, pages = {10545}, language = {en} } @article{PakhomovHammerschmidtBurgeretal., 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}, series = {Opt. Express}, volume = {29}, journal = {Opt. Express}, doi = {10.1364/OE.417066}, pages = {9098}, language = {en} } @inproceedings{BarthRoderBrodoceanuetal., author = {Barth, Carlo and Roder, Sebastian and Brodoceanu, Daniel and Kraus, Tobias and Burger, Sven and Hammerschmidt, Martin and Schmidt, Frank and Becker, Christiane}, title = {Increased fluorescence of PbS quantum dots on photonic crystal slab structures}, series = {Proc. Europ. Opt. Soc. Ann. Meet. 2016 (EOSAM)}, booktitle = {Proc. Europ. Opt. Soc. Ann. Meet. 2016 (EOSAM)}, isbn = {978-1-5108-4796-5}, pages = {181}, language = {en} } @inproceedings{HammerschmidtBarthBurgeretal., author = {Hammerschmidt, Martin and Barth, Carlo and Burger, Sven and Becker, Christiane and Schmidt, Frank}, title = {Determining 2D photonic crystal geometries from reflectance spectra with a reduced basis method}, series = {Proc. Europ. Opt. Soc. Ann. Meet. 2016 (EOSAM)}, booktitle = {Proc. Europ. Opt. Soc. Ann. Meet. 2016 (EOSAM)}, isbn = {978-1-5108-4796-5}, pages = {281}, language = {en} } @article{AndrleHoenickeSchneideretal., 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}, series = {Proc. SPIE}, volume = {11057}, journal = {Proc. SPIE}, doi = {10.1117/12.2526082}, pages = {110570M}, language = {en} } @article{AlhaddadFoerstnerGrothetal., 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}, series = {Concurrency and Computation: Practice and Experience}, volume = {34}, journal = {Concurrency and Computation: Practice and Experience}, number = {14}, doi = {10.1002/cpe.6616}, 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} } @misc{HammerschmidtHerrmannPomplunetal., 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}, series = {Proc. SPIE}, volume = {9742}, journal = {Proc. SPIE}, issn = {1438-0064}, doi = {10.1117/12.2212367}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-57239}, pages = {97420M}, 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 modeling and numerical accuracy atcomputational 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-scatteringoptical wavelengths off 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} } @misc{HammerschmidtBarthPomplunetal., 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}, issn = {1438-0064}, doi = {10.1117/12.2212482}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-57249}, 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} } @misc{HammerschmidtHerrmannBurgeretal., author = {Hammerschmidt, Martin and Herrmann, Sven and Burger, Sven and Pomplun, Jan and Schmidt, Frank}, title = {Reduced basis method for the optimization of nano-photonic devices}, issn = {1438-0064}, doi = {10.1007/s11082-016-0530-1}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-57556}, 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 occuring e. g. in optical metrology. The reduced basis method presented here relies on a finite element modeling of the scattering problem with parametrization of materials, geometries and sources.}, language = {en} } @article{AlhaddadFoerstnerGrothetal., 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}, series = {Euro-Par 2020: Parallel Processing Workshops.}, journal = {Euro-Par 2020: Parallel Processing Workshops.}, publisher = {Springer}, doi = {10.1007/978-3-030-71593-9_15}, pages = {185 -- 196}, 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} }