TY - JOUR A1 - Schimunek, Johannes A1 - Seidl, Philipp A1 - Elez, Katarina A1 - Hempel, Tim A1 - Le, Tuan A1 - Noé, Frank A1 - Olsson, Simon A1 - Raich, Lluís A1 - Winter, Robin A1 - Gokcan, Hatice A1 - Gusev, Filipp A1 - Gutkin, Evgeny M. A1 - Isayev, Olexandr A1 - Kurnikova, Maria G. A1 - Narangoda, Chamali H. A1 - Zubatyuk, Roman A1 - Bosko, Ivan P. A1 - Furs, Konstantin V. A1 - Karpenko, Anna D. A1 - Kornoushenko, Yury V. A1 - Shuldau, Mikita A1 - Yushkevich, Artsemi A1 - Benabderrahmane, Mohammed B. A1 - Bousquet-Melou, Patrick A1 - Bureau, Ronan A1 - Charton, Beatrice A1 - Cirou, Bertrand C. A1 - Gil, Gérard A1 - Allen, William J. A1 - Sirimulla, Suman A1 - Watowich, Stanley A1 - Antonopoulos, Nick A1 - Epitropakis, Nikolaos A1 - Krasoulis, Agamemnon A1 - Itsikalis, Vassilis A1 - Theodorakis, Stavros A1 - Kozlovskii, Igor A1 - Maliutin, Anton A1 - Medvedev, Alexander A1 - Popov, Petr A1 - Zaretckii, Mark A1 - Eghbal-Zadeh, Hamid A1 - Halmich, Christina A1 - Hochreiter, Sepp A1 - Mayr, Andreas A1 - Ruch, Peter A1 - Widrich, Michael A1 - Berenger, Francois A1 - Kumar, Ashutosh A1 - Yamanishi, Yoshihiro A1 - Zhang, Kam Y. J. A1 - Bengio, Emmanuel A1 - Bengio, Yoshua A1 - Jain, Moksh J. A1 - Korablyov, Maksym A1 - Liu, Cheng-Hao A1 - Marcou, Gilles A1 - Glaab, Enrico A1 - Barnsley, Kelly A1 - Iyengar, Suhasini M. A1 - Ondrechen, Mary Jo A1 - Haupt, V. Joachim A1 - Kaiser, Florian A1 - Schroeder, Michael A1 - Pugliese, Luisa A1 - Albani, Simone A1 - Athanasiou, Christina A1 - Beccari, Andrea A1 - Carloni, Paolo A1 - D’Arrigo, Giulia A1 - Gianquinto, Eleonora A1 - Goßen, Jonas A1 - Hanke, Anton A1 - Joseph, Benjamin P. A1 - Kokh, Daria B. A1 - Kovachka, Sandra A1 - Manelfi, Candida A1 - Mukherjee, Goutam A1 - Muñiz-Chicharro, Abraham A1 - Musiani, Francesco A1 - Nunes-Alves, Ariane A1 - Paiardi, Giulia A1 - Rossetti, Giulia A1 - Sadiq, S. Kashif A1 - Spyrakis, Francesca A1 - Talarico, Carmine A1 - Tsengenes, Alexandros A1 - Wade, Rebecca C. A1 - Copeland, Conner A1 - Gaiser, Jeremiah A1 - Olson, Daniel R. A1 - Roy, Amitava A1 - Venkatraman, Vishwesh A1 - Wheeler, Travis J. A1 - Arthanari, Haribabu A1 - Blaschitz, Klara A1 - Cespugli, Marco A1 - Durmaz, Vedat A1 - Fackeldey, Konstantin A1 - Fischer, Patrick D. A1 - Gorgulla, Christoph A1 - Gruber, Christian A1 - Gruber, Karl A1 - Hetmann, Michael A1 - Kinney, Jamie E. A1 - Padmanabha Das, Krishna M. A1 - Pandita, Shreya A1 - Singh, Amit A1 - Steinkellner, Georg A1 - Tesseyre, Guilhem A1 - Wagner, Gerhard A1 - Wang, Zi-Fu A1 - Yust, Ryan J. A1 - Druzhilovskiy, Dmitry S. A1 - Filimonov, Dmitry A. A1 - Pogodin, Pavel V. A1 - Poroikov, Vladimir A1 - Rudik, Anastassia V. A1 - Stolbov, Leonid A. A1 - Veselovsky, Alexander V. A1 - De Rosa, Maria A1 - De Simone, Giada A1 - Gulotta, Maria R. A1 - Lombino, Jessica A1 - Mekni, Nedra A1 - Perricone, Ugo A1 - Casini, Arturo A1 - Embree, Amanda A1 - Gordon, D. Benjamin A1 - Lei, David A1 - Pratt, Katelin A1 - Voigt, Christopher A. A1 - Chen, Kuang-Yu A1 - Jacob, Yves A1 - Krischuns, Tim A1 - Lafaye, Pierre A1 - Zettor, Agnès A1 - Rodríguez, M. Luis A1 - White, Kris M. A1 - Fearon, Daren A1 - Von Delft, Frank A1 - Walsh, Martin A. A1 - Horvath, Dragos A1 - Brooks III, Charles L. A1 - Falsafi, Babak A1 - Ford, Bryan A1 - García-Sastre, Adolfo A1 - Yup Lee, Sang A1 - Naffakh, Nadia A1 - Varnek, Alexandre A1 - Klambauer, Günter A1 - Hermans, Thomas M. T1 - A community effort in SARS-CoV-2 drug discovery JF - Molecular Informatics KW - COVID-19 KW - drug discovery KW - machine learning KW - SARS-CoV-2 Y1 - 2023 U6 - https://doi.org/https://doi.org/10.1002/minf.202300262 VL - 43 IS - 1 SP - e202300262 ER - TY - GEN A1 - Frank, Martin A1 - Fügenschuh, Armin A1 - Herty, Michael A1 - Schewe, Lars T1 - The Coolest Path Problem N2 - 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. T3 - ZIB-Report - 09-37 Y1 - 2009 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-11571 SN - 1438-0064 ER - TY - JOUR A1 - Grötschel, Martin A1 - Harary, Frank T1 - The Graphs for which All Strong Orientations Are Hamiltonian JF - Journal of Graph Theory Y1 - 1979 VL - 3 SP - 221 EP - 223 ER - TY - JOUR A1 - Enke, Harry A1 - Steinmetz, Matthias A1 - Adorf, Hans-Martin A1 - Beck-Ratzka, Alexander A1 - Breitling, Frank A1 - Brüsemeister, Thomas A1 - Carlson, Arthur A1 - Ensslin, Torsten A1 - Högqvist, Mikael A1 - Nickelt, Iliya A1 - Radke, Thomas A1 - Reinefeld, Alexander A1 - Reiser, Angelika A1 - Scholl, Tobias A1 - Spurzem, Rainer A1 - Steinacker, Jürgen A1 - Voges, Wolfgang A1 - Wambsganß, Joachim A1 - White, Steve T1 - AstroGrid-D: Grid technology for astronomical science JF - New Astronomy Y1 - 2011 UR - http://www.sciencedirect.com/science/article/pii/S1384107610000837 U6 - https://doi.org/10.1016/j.newast.2010.07.005 VL - 16 IS - 2 SP - 79 EP - 93 ER - TY - CHAP A1 - Hammerschmidt, Martin A1 - Lockau, Daniel A1 - Burger, Sven A1 - Schmidt, Frank A1 - Schwanke, Christoph A1 - Kirner, Simon A1 - Calnan, Sonya A1 - Stannowski, Bernd A1 - Rech, Bernd T1 - 3D optical modeling of thin-film a-Si/mc-Si tandem solar cells with random textured interfaces using FEM T2 - Renewable Energy and the Environment Optics and Photonics Congress Y1 - 2012 U6 - https://doi.org/10.1364/E2.2012.JM5A.15 SP - JM5A.15 PB - Optical Society of America ER - TY - JOUR A1 - Hammerschmidt, Martin A1 - Lockau, Daniel A1 - Burger, Sven A1 - Schmidt, Frank A1 - Schwanke, Christoph A1 - Kirner, Simon A1 - Calnan, Sonya A1 - Stannowski, Bernd A1 - Rech, Bernd T1 - FEM-based optical modeling of silicon thin-film tandem solar cells with randomly textured interfaces in 3D JF - Proc. SPIE Y1 - 2013 U6 - https://doi.org/10.1117/12.2001789 VL - 8620 SP - 86201H ER - TY - CHAP A1 - Zschiedrich, Lin A1 - Greiner, Horst A1 - Pomplun, Jan A1 - Hammerschmidt, Martin A1 - Burger, Sven A1 - Schmidt, Frank T1 - FEM simulations of light extraction from nanostructured organic light-emitting diodes T2 - Renewable Energy and the Environment Optics and Photonics Congress Y1 - 2012 U6 - https://doi.org/10.1364/SOLED.2012.LT2B.5 SP - LT2B.5 PB - Optical Society of America ER - TY - JOUR A1 - Gutsche, Philipp A1 - Poulikakos, Lisa A1 - Hammerschmidt, Martin A1 - Burger, Sven A1 - Schmidt, Frank T1 - Time-harmonic optical chirality in inhomogeneous space JF - Proc. SPIE Y1 - 2016 U6 - https://doi.org/10.1117/12.2209551 VL - 9756 SP - 97560X ER - TY - GEN A1 - Gutsche, Philipp A1 - Poulikakos, Lisa A1 - Burger, Sven A1 - Hammerschmidt, Martin A1 - Schmidt, Frank T1 - Optical chirality: conservation law in arbitrary space T2 - 606. WE-Heraeus-Seminar on Nanophotonics and Complex Spatial Modes of Light N2 - 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. Y1 - 2016 ER - TY - JOUR A1 - Hammerschmidt, Martin A1 - Barth, Carlo A1 - Pomplun, Jan A1 - Burger, Sven A1 - Becker, Christiane A1 - Schmidt, Frank T1 - Reconstruction of photonic crystal geometries using a reduced basis method for nonlinear outputs JF - Proc. SPIE N2 - 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. Y1 - 2016 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-58187 VL - 9756 SP - 97561R ER -