@misc{KratzMeyerHotz2010, author = {Kratz, Andrea and Meyer, Bj{\"o}rn and Hotz, Ingrid}, title = {A Visual Approach to Analysis of Stress Tensor Fields}, doi = {/10.4230/DFU.Vol2.SciViz.2011.188}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-11915}, number = {10-26}, year = {2010}, abstract = {We present a visual approach for the exploration of stress tensor fields. Therefore, we introduce the idea of multiple linked views to tensor visualization. In contrast to common tensor visualization methods that only provide a single view to the tensor field, we pursue the idea of providing various perspectives onto the data in attribute and object space. Especially in the context of stress tensors, advanced tensor visualization methods have a young tradition. Thus, we propose a combination of visualization techniques domain experts are used to with statistical views of tensor attributes. The application of this concept to tensor fields was achieved by extending the notion of shape space. It provides an intuitive way of finding tensor invariants that represent relevant physical properties. Using brushing techniques, the user can select features in attribute space, which are mapped to displayable entities in a three-dimensional hybrid visualization in object space. Volume rendering serves as context, while glyphs encode the whole tensor information in focus regions. Tensorlines can be included to emphasize directionally coherent features in the tensor field. We show that the benefit of such a multi-perspective approach is manifold. Foremost, it provides easy access to the complexity of tensor data. Moreover, including wellknown analysis tools, such as Mohr diagrams, users can familiarize themselves gradually with novel visualization methods. Finally, by employing a focus-driven hybrid rendering, we significantly reduce clutter, which was a major problem of other three-dimensional tensor visualization methods.}, language = {en} } @misc{MeyerPanizziSchiela2010, author = {Meyer, Christian and Panizzi, Lucia and Schiela, Anton}, title = {Uniqueness criteria for solutions of the adjoint equation in state-constrained optimal control}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-11933}, number = {10-28}, year = {2010}, abstract = {The paper considers linear elliptic equations with regular Borel measures as inhomogeneity. Such equations frequently appear in state-constrained optimal control problems. By a counter-example of Serrin, it is known that, in the presence of non-smooth data, a standard weak formulation does not ensure uniqueness for such equations. Therefore several notions of solution have been developed that guarantee uniqueness. In this note, we compare different definitions of solutions, namely the ones of Stampacchia and the two notions of solutions of Casas and Alibert-Raymond, and show that they are the same. As side results, we reformulate the solution in the sense of Stampacchia, and prove the existence and uniqueness of solutions in in case of mixed boundary conditions.}, language = {en} } @article{GuerlerMollWeberetal.2008, author = {Guerler, A. and Moll, Sebastian and Weber, Marcus and Meyer, Holger and Cordes, Frank}, title = {Selection and flexible optimization of binding modes from conformation ensembles}, volume = {92}, journal = {Biosystems}, number = {1}, doi = {DOI: 10.1016/j.biosystems.2007.11.004}, pages = {42 -- 48}, year = {2008}, language = {en} } @article{GuerlerMollWeberetal.2007, author = {G{\"u}rler, A. and Moll, Sebastian and Weber, Marcus and Meyer, Holger and Cordes, Frank}, title = {Selection and flexible optimization of binding modes from conformation ensembles}, journal = {Biosystems}, year = {2007}, language = {en} } @article{MeyerPruefertTroeltzsch2007, author = {Meyer, Christian and Pr{\"u}fert, Uwe and Tr{\"o}ltzsch, Fredi}, title = {On two numerical methods for state-constrained elliptic control problems}, volume = {22}, journal = {Optimization Methods and Software}, number = {6}, pages = {871 -- 899}, year = {2007}, language = {en} } @article{SiefkeHurtadoDickmannetal.2020, author = {Siefke, Thomas and Hurtado, Carol and Dickmann, Johannes and Dickmann, Walter and K{\"a}seberg, Tim and Meyer, Jan and Burger, Sven and Zeitner, Uwe and Bodermann, Bernd and Kroker, Stefanie}, title = {Quasi-bound states in the continuum for deep subwavelength structural information retrieval for DUV nano-optical polarizers}, volume = {28}, journal = {Opt. Express}, doi = {10.1364/OE.396044}, pages = {23122}, year = {2020}, language = {en} } @misc{WeberMeyer2005, author = {Weber, Marcus and Meyer, Holger}, title = {ZIBgridfree - Adaptive Conformation Analysis with qualified Support of Transition States and Thermodynamic Weights}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-8514}, number = {05-17}, year = {2005}, abstract = {This paper introduces a new algorithm of conformational analysis based on mesh-free methods as described in [M. Weber. Mehless methods in Conformation Dynamics.(2005)]. The adaptive decomposition of the conformational space by softly limiting functions avoids trapping effects and allows adaptive refinement strategies. These properties of the algorithm makes ZIBgridfree particularly suitable for the complete exploration of high-dimensional conformational space. The adaptive control of the algorithm benefits from the tight integration of molecular simulation and conformational analysis. An emphasized part of the analysis is the Robust Perron Cluster Analysis (PCCA+) based on the work of Peter Deuflhard and Marcus Weber. PCCA+ supports an almost-characteristic cluster definition with an outstanding mapping of transition states. The outcome is expressed by the metastable sets of conformations, their thermodynamic weights and flexibility.}, language = {en} } @misc{Meyer1999, author = {Meyer, Michael}, title = {Ab Initio Study of Flavonoids}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-4110}, number = {SC-99-23}, year = {1999}, abstract = {Flavone and the flavylium ion have been studied at Hartree-Fock, M{\o}ller-Plesset and B3LYP hybrid density functional level to determine the structures and barriers to internal rotation. Both molecules have a high perpendicular barrier about the single bond connecting the phenyl ring with the benzopyrone and benzopyrylium ring, respectively. In contrast to biphenyl both molecules have low coplanar barriers. B3LYP overestimates the perpendicular barrier heights compared to other methods. The dependence of the population and orbital energies on the torsion has been investigated and the structures of both flavonoids have been estimated by means of a reaction field model.}, language = {en} } @article{MeyerSteinkeSuehnel2007, author = {Meyer, Michael and Steinke, Thomas and S{\"u}hnel, J{\"u}rgen}, title = {Density functional study of isoguanine tetrad and pentad sandwich complexes with alkali metal ions}, volume = {13}, journal = {Journal of Molecular Modeling}, number = {2}, publisher = {Springer Berlin / Heidelberg}, pages = {335 -- 345}, year = {2007}, language = {en} } @inproceedings{MaySteinkeMeyer2004, author = {May, Patrick and Steinke, Thomas and Meyer, Michael}, title = {THESEUS: A Parallel Threading Core}, booktitle = {Procs. 12th Internat. Conf. on Intelligent Systems for Mol. Bio. (ISMB) and 3rd European Conf. on Comp. Bio. (ECCB), Glasgow}, pages = {199}, year = {2004}, language = {en} } @article{KleinfeldBhariokeBlinderetal.2011, author = {Kleinfeld, David and Bharioke, Arjun and Blinder, Pablo and Bock, David and Briggman, Kevin and Chklovskii, Dmitri and Denk, Winfried and Helmstaedter, Moritz and Kaufhold, John and Lee, Wei-Chung and Meyer, Hanno and Micheva, Kristina and Oberlaender, Marcel and Prohaska, Steffen and Reid, R. and Smith, Stephen and Takemura, Shinya and Tsai, Philbert and Sakmann, Bert}, title = {Large-scale automated histology in the pursuit of connectomes}, volume = {31}, journal = {Journal of Neuroscience}, number = {45}, doi = {10.1523/JNEUROSCI.4077-11.2011}, pages = {16125 -- 16138}, year = {2011}, language = {en} } @article{OberlaenderdeKockBrunoetal.2012, author = {Oberlaender, Marcel and de Kock, Christiaan P. J. and Bruno, Randy M. and Ramirez, Alejandro and Meyer, Hanno and Dercksen, Vincent J. and Helmstaedter, Moritz and Sakmann, Bert}, title = {Cell Type-Specific Three-Dimensional Structure of Thalamocortical Circuits in a Column of Rat Vibrissal Cortex}, volume = {22}, journal = {Cerebral Cortex}, number = {10}, doi = {doi:10.1093/cercor/bhr317}, pages = {2375 -- 2391}, year = {2012}, language = {en} } @article{KussGenselMeyeretal.2010, author = {Kuß, Anja and Gensel, Maria and Meyer, Bj{\"o}rn and Dercksen, Vincent J. and Prohaska, Steffen}, title = {Effective Techniques to Visualize Filament-Surface Relationships}, volume = {29}, journal = {Comput. Graph. Forum}, pages = {1003 -- 1012}, year = {2010}, language = {en} } @misc{KratzMeyerHotz2011, author = {Kratz, Andrea and Meyer, Bj{\"o}rn and Hotz, Ingrid}, title = {A Visual Approach to Analysis of Stress Tensor Fields}, volume = {2}, journal = {Scientific Visualization: Interactions, Features, Metaphors}, editor = {Hagen, Hans}, publisher = {Schloss Dagstuhl-Leibniz-Zentrum fuer Informatik}, address = {Dagstuhl, Germany}, doi = {10.4230/DFU.Vol2.SciViz.2011.188}, pages = {188 -- 211}, year = {2011}, language = {en} } @misc{OberlaenderBrunodeKocketal.2009, author = {Oberlaender, Marcel and Bruno, Randy M. and de Kock, Christiaan P. J. and Meyer, Hanno and Dercksen, Vincent J. and Sakmann, Bert}, title = {3D distribution and sub-cellular organization of thalamocortical VPM synapses for individual excitatory neuronal cell types in rat barrel cortex}, journal = {Conference Abstract No. 173.19/Y35, 39th Annual Meeting of the Society for Neuroscience (SfN)}, year = {2009}, language = {en} } @article{DiederichsSeimMeyeretal.2008, author = {Diederichs, Gerd and Seim, Heiko and Meyer, Henning and Issever, Ahi and M. Link, Thomas and J. Schr{\"o}der, Ralf and Scheibel, Markus}, title = {CT-based patient-specific modeling of glenoid rim defects: A feasibility study}, volume = {191}, journal = {AJR Am J Roentgenol}, number = {5}, doi = {10.2214/AJR.08.1091}, pages = {1406 -- 1411}, year = {2008}, language = {en} } @inproceedings{KussProhaskaMeyeretal.2008, author = {Kuß, Anja and Prohaska, Steffen and Meyer, Bj{\"o}rn and Rybak, J{\"u}rgen and Hege, Hans-Christian}, title = {Ontology-Based Visualization of Hierarchical Neuroanatomical Structures}, booktitle = {Proceedings of the Eurographics Workshop on Visual Computing for Biomedicine VCBM 2008}, pages = {177 -- 184}, year = {2008}, language = {en} } @article{DurmazWeberMeyeretal.2015, author = {Durmaz, Vedat and Weber, Marcus and Meyer, and M{\"u}ckter,}, title = {Computergest{\"u}tzte Simulationen zur Absch{\"a}tzung gesundheitlicher Risiken durch anthropogene Spurenstoffe der Wassermatrix}, volume = {3/15}, journal = {KA Korrespondenz Abwasser, Abfall}, pages = {264 -- 267}, year = {2015}, language = {de} } @article{HeinzeDipankarHenkenetal.2017, author = {Heinze, Rieke and Dipankar, Anurag and Henken, Cintia Carbajal and Moseley, Christopher and Sourdeval, Odran and Tr{\"o}mel, Silke and Xie, Xinxin and Adamidis, Panos and Ament, Felix and Baars, Holger and Barthlott, Christian and Behrendt, Andreas and Blahak, Ulrich and Bley, Sebastian and Brdar, Slavko and Brueck, Matthias and Crewell, Susanne and Deneke, Hartwig and Di Girolamo, Paolo and Evaristo, Raquel and Fischer, J{\"u}rgen and Frank, Christopher and Friederichs, Petra and G{\"o}cke, Tobias and Gorges, Ksenia and Hande, Luke and Hanke, Moritz and Hansen, Akio and Hege, Hans-Christian and Hose, Corinna and Jahns, Thomas and Kalthoff, Norbert and Klocke, Daniel and Kneifel, Stefan and Knippertz, Peter and Kuhn, Alexander and van Laar, Thriza and Macke, Andreas and Maurer, Vera and Mayer, Bernhard and Meyer, Catrin I. and Muppa, Shravan K. and Neggers, Roeland A. J. and Orlandi, Emiliano and Pantillon, Florian and Pospichal, Bernhard and R{\"o}ber, Niklas and Scheck, Leonhard and Seifert, Axel and Seifert, Patric and Senf, Fabian and Siligam, Pavan and Simmer, Clemens and Steinke, Sandra and Stevens, Bjorn and Wapler, Kathrin and Weniger, Michael and Wulfmeyer, Volker and Z{\"a}ngl, G{\"u}nther and Zhang, Dan and Quaas, Johannes}, title = {Large-eddy simulations over Germany using ICON: a comprehensive evaluation}, volume = {143}, journal = {Quarterly Journal of the Royal Meteorological Society}, number = {702}, doi = {10.1002/qj.2947}, pages = {69 -- 100}, year = {2017}, abstract = {Large-eddy simulations (LES) with the new ICOsahedral Non-hydrostatic atmosphere model (ICON) covering Germany are evaluated for four days in spring 2013 using observational data from various sources. Reference simulations with the established Consortium for Small-scale Modelling (COSMO) numerical weather prediction model and further standard LES codes are performed and used as a reference. This comprehensive evaluation approach covers multiple parameters and scales, focusing on boundary-layer variables, clouds and precipitation. The evaluation points to the need to work on parametrizations influencing the surface energy balance, and possibly on ice cloud microphysics. The central purpose for the development and application of ICON in the LES configuration is the use of simulation results to improve the understanding of moist processes, as well as their parametrization in climate models. The evaluation thus aims at building confidence in the model's ability to simulate small- to mesoscale variability in turbulence, clouds and precipitation. The results are encouraging: the high-resolution model matches the observed variability much better at small- to mesoscales than the coarser resolved reference model. In its highest grid resolution, the simulated turbulence profiles are realistic and column water vapour matches the observed temporal variability at short time-scales. Despite being somewhat too large and too frequent, small cumulus clouds are well represented in comparison with satellite data, as is the shape of the cloud size spectrum. Variability of cloud water matches the satellite observations much better in ICON than in the reference model. In this sense, it is concluded that the model is fit for the purpose of using its output for parametrization development, despite the potential to improve further some important aspects of processes that are also parametrized in the high-resolution model.}, language = {en} } @misc{MeyerSteinkeBrandletal.2000, author = {Meyer, Michael and Steinke, Thomas and Brandl, Maria and S{\"u}hnel, J{\"u}rgen}, title = {Density functional study of guanine and uracil quartets and of guanine quartet metal/ion complexes}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-5842}, number = {00-16}, year = {2000}, abstract = {The structures and interaction energies of guanine and uracil quartets have been determined by B3LYP hybrid density functional calculations. The total interaction energy \$\Delta\$E\$^{T}\$ of the \$\it{C}\$\$_{4h}\$-symmetric guanine quartet consisting of Hoogsteen type base pairs with two hydrogen bonds between two neighbour bases is -66.07 kcal/mol at the highest level. The uracil quartet with C6-H6...O4 interactions between the individual bases has only a small interaction energy of -20.92 kcal/mol and the interaction energy of -24.63 kcal/mol for the alternative structure with N3-H3...O4 hydrogen bonds is only slightly more negative. Cooperative effects contribute between 10 and 25 \\% to all interaction energies. Complexes of metal ions with G-quartets can be classified into different structure types. The one with Ca\$^{2+}\$ in the central cavity adopts a \$\it{C}\$\$_{4h}\$-symmetric structure with coplanar bases, whereas the energies of the planar and non-planar Na\$^{+}\$ complexes are almost identical. The small ions Li\$^{+}\$, Be\$^{2+}\$, Cu\$^{+}\$ and Zn\$^{2+}\$ prefer a non-planar \$\it{S}\$\$_{4}\$-symmetric structure. The lack of co-planarity prevents probably a stacking of these base quartets. The central cavity is too small for K\$^{+}\$ ions and therefore this ion favours in contrast to all other investigated ions a \$\it{C}\$\$_{4}\$-symmetric complex, which is 4.73 kcal/mol more stable than the \$\it{C}\$\$_{4h}\$-symmetric one. The distance 1.665 {\AA} between K\$^{+}\$ and the root mean squares plane of the guanine bases is approximately half of the distance between two stacked G-quartets. The total interaction energy of alkaline earth ion complexes exceeds the ones with alkali ions. Within both groups of ions the interaction energy decreases with an increasing row position in the periodic table. The B3LYP and BLYP methods lead to similar structures and energies. Both methods are suitable for hydrogen-bonded biological systems. Compared with the before mentioned methods the HCTH functional leads to longer hydrogen bonds and different relative energies for two U-quartets. Finally we calculated also structures and relative energies with the MMFF94 forcefield. Contrary to all DFT methods, MMFF94 predicts bifurcated C-H...O contacts in the uracil quartet. In the G-quartet the MMFF94 hydrogen bond distances N2-H22...N7 are shorter than the DFT distances, whereas the N1-H1...O6 distances are longer.}, language = {en} } @misc{MeyerSchnurreReissbrodtetal.2000, author = {Meyer, Michael and Schnurre, R{\"u}diger and Reissbrodt, Rolf and Trowitzsch-Kienast, Wolfram}, title = {Computer-aided design of novel siderophores: Pyridinochelin}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-5887}, number = {00-20}, year = {2000}, abstract = {Pyridinochelin, a novel catecholate type siderophore, has been designed on the basis of the active analog enterobactin. Growth promotion tests indicate that this synthetic siderophore feeds various pathogenic bacteria effectively with iron even though it lacks one catecholate group compared to enterobactin. The superposition of the siderophore structures suggests that the structure of the skeleton connecting the catecholate groups might be an important factor for the iron transport.}, language = {en} } @misc{MeyerMollCordesetal.2006, author = {Meyer, Holger and Moll, Sebastian and Cordes, Frank and Weber, Marcus}, title = {ConFlow? A new space-based Application for complete Conformational Analysis of Molecules}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-9258}, number = {06-31}, year = {2006}, abstract = {Biochemical interactions are determined by the 3D-structure of the involved components - thus the identification of conformations is a key for many applications in rational drug design. {\sf ConFlow} is a new multilevel approach to conformational analysis with main focus on completeness in investigation of conformational space. In contrast to known conformational analysis, the starting point for design is a space-based description of conformational areas. A tight integration of sampling and analysis leads to an identification of conformational areas simultaneously during sampling. An incremental decomposition of high-dimensional conformational space is used to guide the analysis. A new concept for the description of conformations and their path connected components based on convex hulls and {\em Hypercubes}is developed. The first results of the {\sf ConFlow} application constitute a 'proof of concept' and are further more highly encouraging. In comparison to conventional industrial applications, {\sf ConFlow} achieves higher accuracy and a specified degree of completeness with comparable effort.}, language = {en} } @article{AsadovaAchouriArjasetal.2025, author = {Asadova, Nigar and Achouri, Karim and Arjas, Kristian and Ajugui{\´e}, Baptiste and Aydin, Roland and Baron, Alexandre and Beutel, Dominik and Bodermann, Bernd and Boussaoud, Kaoutar and Burger, Sven and Choi, Minseok and Czajkowski, Krzysztof and Evlyukhin, Andrey B. and Fazel-Najafabadi, Atefeh and Fernandez-Corbaton, Ivan and Garg, Puneet and Globosits, David and Hohenester, Ulrich and Kim, Hongyoon and Kim, Seokwoo and Lalanne, Philippe and Le Ru, Eric C. and Meyer, J{\"o}rg and Mun, Jungho and Patelli, Lorenzo and Pflug, Lukas and Rockstuhl, Carsten and Rho, Junsuk and Rotter, Stefan and Stout, Brian and T{\"o}rm{\"a}, P{\"a}ivi and Trigo, Jorge Olmos and Tristram, Frank and Tsitsas, Nikolaos L. and Vall{\´e}e, Renaud and Vynck, Kevin and Weiss, Thomas and Wiecha, Peter and Wriedt, Thomas and Yannopapas, Vassilios and Yurkin, Maxim A. and Zouros, Grigorios P.}, title = {T-matrix representation of optical scattering response: Suggestion for a data format}, volume = {333}, journal = {J. Quant. Spectrosc. Radiat. Transf.}, arxiv = {http://arxiv.org/abs/2408.10727}, doi = {10.1016/j.jqsrt.2024.109310}, pages = {109310}, year = {2025}, language = {en} }