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Publikationen im Jahr 2008

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Artikel

Controling the size of nanoparticles by an enzymatic reaction
Alemdaroglu, Fikri E.; Wang, Jie; Börsch, Michael; Berger, Rüdiger; Herrmann, Andreas: Controling the size of nanoparticles by an enzymatic reaction.
Angewandte Chemie International Edition 47 (5), S. 974-976 (2008).
Alemdaroglu, Fikri E.; Wang, Jie; Börsch, Michael; Berger, Rüdiger; Herrmann, Andreas: Enzymatische Kontrolle der Größe von DNA-Blockcopolymer-Nanopartikeln.
Angewandte Chemie 120 (5), S. 988-991 (2008).
Alkhaldi, Hashem; Ergenzinger, Christian; Fleissner, Florian; Eberhard, Peter: Comparison Between Two Different Mesh Descriptions Used for Simulation of Sieving Processes.
Granular Matter 10 (3), S. 223-229 (2008).
Continuous Scatterplots
Bachthaler, Sven; Weiskopf, Daniel: Continuous Scatterplots.
IEEE Transactions on Visualization and Computer Graphics 14, S. 1428-1435 (2008).
Bidmon, Katrin; Grottel, Sebastian; Bös, Fabian; Pleiss, Jürgen; Ertl, Thomas: Visual Abstractions of Solvent Pathlines near Protein Cavities.
Computer Graphics Forum (EuroVis 2008 Special Issue) 27 (3), S. 935-942 (2008).
Bidmon, Katrin; Grottel, Sebastian; Bös, Fabian; Pleiss, Jürgen; Ertl, Thomas: Visual abstractions of solvent pathlines near protein cavities.
Comput Graph Forum 27, S. 935-942 (2008).
Diepholz, Meikel ; Börsch, Michael; Böttcher, Bettina : Structural organization of the V-ATPase and its implications for regulatory assembly and disassembly .
Biochemical Society Transactions 36 (5), S. 1027-1031 (2008).
Düser, Monika G.; Bi, Yumin; Zarrabi, Nawid; Dunn, Stanley D.; Börsch, Michael: The proton-translocating a subunit of FoF1-ATP synthase is allocated asymmetrically to the peripheral stalk.
Journal of Biological Chemistry 283 (48), S. 33602-33610 (2008).
An optimized molecular model for ammonia
Eckl, Bernhard; Vrabec, Jadran; Hasse, Hans: An optimized molecular model for ammonia.
Molecular Physics 106 (8), S. 1039-1046 (2008).
Molekulare Modellierung und Simulation für das Prozessdesign
Eckl, Bernhard; Vrabec, Jadran; Hasse, Hans: Molekulare Modellierung und Simulation für das Prozessdesign.
Chemie Ingenieur Technik 80 (1), S. 25-33 (2008).
On the Application of Force Fields for Predicting a Wide Variety of Properties: Ethylene Oxide as an Example
Eckl, Bernhard; Vrabec, Jadran; Hasse, Hans: On the Application of Force Fields for Predicting a Wide Variety of Properties: Ethylene Oxide as an Example.
Fluid Phase Equilibria 274 (1), S. 16-26 (2008).
On the Application of Force Fields for Predicting a Wide Variety of Properties: Ethylene Oxide as an Example
Eckl, Bernhard; Vrabec, Jadran; Hasse, Hans: On the Application of Force Fields for Predicting a Wide Variety of Properties: Ethylene Oxide as an Example.
Fluid Phase Equilibria 274 (1), S. 16–26 (2008).
Set of molecular models based on quantum mechanical ab initio calculations and thermo­dynamic data
Eckl, Bernhard; Vrabec, Jadran; Hasse, Hans: Set of molecular models based on quantum mechanical ab initio calculations and thermo­dynamic data.
Journal of Physical Chemistry B 112 (40), S. 12710-12721 (2008).
Gali, A.; Fyta, Maria; Kaxiras, E.: Ab initio supercell calculations on nitrogen-vacancy center in diamond: Electronic structure and hyperfine tensors.
Phys. Rev. B (2008).
Galvez, Eva M.; Düser, Monika G.; Börsch, Michael; Wrachtrup, Jörg; Gräber, Peter: Quantum dots for single-pair fluorescence resonance energy transfer in membrane-integrated EF0F1.
Biochemical Society Transactions 36 (5), S. 1017-1021 (2008).
Gaugele, T.; Fleissner, Florian; Eberhard, Peter: Simulation of Material Tests using Meshfree Lagrangian Particle Methods.
Journal of Multi-body Dynamics 222 (4), S. 327-338 (2008).
Prediction of Transport Properties by Molecular Simulation
Guevara-Carrion, Gabriela; Nieto-Draghi, Carlos; Vrabec, Jadran; Hasse, Hans: Prediction of Transport Properties by Molecular Simulation.
Journal of Physical Chemistry B 112 (51), S. 16664-16674 (2008).
Colloids dragged through a polymer solution: experiment, theory and simulation
Gutsche, Christof; Kremer, Friedrich ; Krüger, Matthias ; Rauscher, Markus; Weeber, Rudolf; Harting, Jens: Colloids dragged through a polymer solution: experiment, theory and simulation.
Journal of Chemical Physics 129 (8), S. 084902 (2008).
Anomalous distribution functions in sheared suspensions
Harting, Jens; Herrmann, Hans J.; Ben-Naim, Eli: Anomalous distribution functions in sheared suspensions.
Europhysics Letters 83 (3), S. 30001 (2008).
General on-site velocity boundary conditions for lattice Boltzmann
Hecht, Martin; Harting, Jens: General on-site velocity boundary conditions for lattice Boltzmann.
submitted for publication (2008).
Heitkamp, Thomas; Kalinowski, René; Böttcher, Bettina ; Börsch, Michael; Altendorf, Karlheinz ; Greie, Jörg-Christian: K+- translocating KdpFABC P-type ATPase from Escherichia coli acts as a functional and structural dimer.
Biochemistry 47 (11), S. 3564-3575 (2008).
Simulation of dense colloids
Herrmann, Hans J.; Harting, Jens; Hecht, Martin; Ben-Naim, Eli: Simulation of dense colloids.
Brazilian Journal of Physics 38 (1), S. 37 (2008).
Horsch, Martin; Vrabec, Jadran; Bernreuther, Martin; Grottel, Sebastian; Reina, Guido; Wix, Andrea; Schaber, Karlheinz; Hasse, Hans: Homogeneous nucleation in supersaturated vapors of methane, ethane, and carbon dioxide predicted by brute force molecular dynamics.
Journal of Chemical Physics 128 (16), S. 164510 (2008).
Slip flow over structured surfaces with entrapped microbubbles
Hyväluoma, Jari; Harting, Jens: Slip flow over structured surfaces with entrapped microbubbles.
Physical Review Letters 100 (24), S. 246001 (2008).
On the effect of surfactant adsorption and viscosity change on apparent slip in hydrophobic microchannels
Kunert, Christian; Harting, Jens: On the effect of surfactant adsorption and viscosity change on apparent slip in hydrophobic microchannels.
Progress in Computational Fluid Dynamics 8 (1), S. 197 (2008).
Simulation of fluid flow in hydrophobic rough microchannels
Kunert, Christian; Harting, Jens: Simulation of fluid flow in hydrophobic rough microchannels.
International Journal of Computational Fluid Dynamics 22 (7), S. 475-480 (2008).
Ledvinkova, B; Keller, Rainer; Kosek, J; Nieken, Ulrich: Mathematical Modeling of the Generation of the Secondary Porous Structure in a Monolithic Adsorbent.
Chemical Engineering Journal 140, S. 578-585 (2008).
McNamara, Sean; Garcia-Rojo, R.; Herrmann, Hans J.: Microscopic Origin of granular ratcheting.
Physical Review E, 77 (3), S. 031304 (2008).
Minamoto, Hirofumi; Seifried, Robert; Eberhard, Peter; Kawamura, Shozo: Effects of Strain Rate Dependency of Material Properties in Low Velocity Impact.
International Journal of Modern Physics B 22 (9), S. 1165-1170 (2008).
Peneva, Kalina; Mihov, Gueorgui; Herrmann, Andreas; Zarrabi, Nawid; Börsch, Michael; Duncan, Thomas M.; Müllen, Klaus : Exploiting the nitrilotriacetic acid moiety for biolabeling with ultrastable perylene dyes.
Journal of the American Chemical Society 130 (16), S. 5398-5399 (2008).
Molecular Simulation Study of Hydrogen Bonding Mixtures and New Molecular Models for Mono- and Dimethylamine
Schnabel, Thorsten; Vrabec, Jadran; Hasse, Hans: Molecular Simulation Study of Hydrogen Bonding Mixtures and New Molecular Models for Mono- and Dimethylamine.
Fluid Phase Equilibria 263 (2), S. 144-159 (2008).
Tiyyagura, Sunil R.; Adamidis, Panagiotis; Rabenseifner, Rolf; Lammers, Peter; Borowski, Stefan; Lippold, F.; Svensson, Fredrik; Marxen, O.; Haberhauer, Stefan; Seitsonen, A. P.; Furthmüller, J.; Benkert, Katharina; Galle, Martin; Bönisch, T.; Küster, Uwe; Resch, Michael: Teraflops - Sustained Performance with Real World Applications.
International Journal of High Performance Computing Applications 22 (2), S. 131-148 (2008).

Buch

Nagel, Wolfgang E.; Kröner, Dietmar B.; Resch, Michael: High Performance Computing in Science and Engineering 08, Transactions of the High Performance Computing Center Stuttgart.
Springer (2008)

Kapitel eines Buches

Börsch, Michael; Wrachtrup, Jörg: The electromechanical coupling within a single molecular motor.
In: Eds. Landesstiftung Baden-Württemberg, Th. Schimmel, H.v. Löhneysen, Ch. Obermair, M. Barczewski: Nanotechnology - Physics, Chemistry and Biology of Functional Nanostructures. (2008).
Fleissner, Florian; Eberhard, Peter: Examples for Modelling, Simulation and Visualization with the Discrete Element Method in Mechanical Engineering.
In: Talaba, D. und A. Amditis: Product Engineering: Tools and Methods based on Virtual Reality. Springer (2008).
(Numerical Modeling of Fluid) Flow in porous media and driven colloidal suspensions
Harting, Jens; Zauner, Thomas; Weeber, Rudolf; Hilfer, Rudolf: (Numerical Modeling of Fluid) Flow in porous media and driven colloidal suspensions.
In: W. Nagel, D. Kröner, M. Resch: High Performance Computing in Science and Engineering '08. Springer (2008).

Paper

Benkert, Katharina; Gabriel, Edgar; Resch, Michael: Outlier Detection in Parallel Performance Data for an Adaptive Communication Library.
In: 9th IEEE International Workshop on Parallel and Distributed Scientific and Engineering Computing (PDSEC-08) 2008 (2008).
Brommer, Peter; Gähler, Franz: Scalable molecular dynamics simulations of oxides.
In: Verhandlungen der Deutschen Physikalischen Gesellschaft 1, S. 550 (2008).
Fleissner, Florian; D'Alessandro, Vincenzo; Schiehlen, Werner; Eberhard, Peter: Sloshing Cargo in Tank Trucks and Silo Vehicles.
In: Proceedings of the 4th Asian Conference on Multibody Dynamics, 23.08.2008, S. 304-310 (2008).
Gabriel, Edgar; Feki, Saber; Benkert, Katharina; Resch, Michael: Towards Performance and portability through Runtime Adaption for High Performance Computing Applications.
In: ISC‘2008 2008 (2008).
Harting, Jens; Kunert, Christian; Hyväluoma, Jari: Lattice Boltzmann simulations in microfluidics: probing the boundary condition.
In: Proceedings of the 1st European Conference on Microfluidics, Bologna 2008 (1), S. 258 (2008).
GPU-based Visualisation of Protein Secondary Structure
Krone, Michael; Bidmon, Katrin; Ertl, Thomas: GPU-based Visualisation of Protein Secondary Structure.
In: Proceedings of TP.CG'08, S. 115-122 (2008).
Sonntag, Steffen; Roth, Johannes; Gähler, Franz; Trebin, Hans-Rainer: Femtosecond laser ablation of aluminium.
In: Sixth International Conference on Photo-Excited Processes and Applications (6-ICPEPA), Sapporo (2008).
Monitoring the conformational dynamics of a single potassium transporter by ALEX-FRET
Zarrabi, Nawid; Heitkamp, Thomas; Greie, Jörg-Christian; Börsch, Michael: Monitoring the conformational dynamics of a single potassium transporter by ALEX-FRET.
In: Proceedings of SPIE 6862, S. 68620M (2008).
Zauner, Thomas; Hilfer, Rudolf; Raischel, F.; Biswal, Bibhu: Prediction of transport parameters from resolution dependent analysis of porous media.
In: DPG Frühjahrstagung (2008).

Paper (kein Review)

Fan, Shiqing; Keller, Rainer; Resch, Michael: Enhanced Memory Debugging of MPI-parallel Applications in OpenMPI.
In: Tools for High Performance Computing, Proceedings of the 2nd International Workshop on Parallel Tools for High Performance Computing 2008, S. 49-60 (2008).
Boundary effects in microfluidic setups
Harting, Jens; Kunert, Christian: Boundary effects in microfluidic setups.
In: NIC Series 39 (39), S. 221 (2008).
Horsch, Martin; Vrabec, Jadran: Steady-state molecular dynamics simulation of supersaturated vapour near the spinodal line.
In: Poster session during Nonequilibrium Statistical Mechanics and Nonlinear Physics (MEDYFINOL'08), Punta del Este, Uruguay, 1. Dezember 2008 (131) (2008).
Küster, Uwe; Resch, Michael: Hardware Development and Impact on Numerical Algorithms.
In: Computational Science and High Performance Computing III, The 3rd Russian-German Advanced Research Workshop 2007; Series: Notes on Numerical Fluid Mechanics and Multidisciplinary Design 101, S. 44-51 (2008).

Dissertation

Development and Test of Interaction Potentials for Complex Metallic Alloys (Entwicklung und Test von Wechselwirkungspotenzialen für komplexe intermetallische Verbindungen)
Brommer, Peter: Development and Test of Interaction Potentials for Complex Metallic Alloys (Entwicklung und Test von Wechselwirkungspotenzialen für komplexe intermetallische Verbindungen). Diss., Institut für Theoretische und Angewandte Physik, Universität Stuttgart (2008).
Harting, Jens: Mesoscopic simulations of multiphase flows (Habilitation). Diss., Department of Physics, University of Stuttgart (2008).
Untersuchungen von Struktur-Funktions-Beziehungen an Membranproteinen mittels Molekulardynamik-Simulationen
Aird, Andrew: Untersuchungen von Struktur-Funktions-Beziehungen an Membranproteinen mittels Molekulardynamik-Simulationen. Diss., 3. Physikalisches Institut, Universität Stuttgart (2008).
Visualization of Uncorrelated Point Data
Reina, Guido: Visualization of Uncorrelated Point Data. Diss., Visualisierungsinstitut der Universität Stuttgart (2008).

Tagungsband

Krause, E.; Shokin, Y. I.; Resch, Michael; Shokina, N.: Computational Science and High Performance Computing III, The 3rd Russian-German Advanced Research Workshop, 2007.
Springer (2008)
Resch, Michael; Keller, Rainer; Himmler, V.; Krammer, B.; Schulz, A.: Tools for High Performance Computing, Proceedings of the 2nd International Workshop on Parallel Tools for High Performance Computing, 2008.
Springer (2008)
Resch, Michael; Roller, Sabine; Benkert, Katharina; Galle, Martin; Bez, Wolfgang; Kobayashi, H.; Hirayama, T.: High Performance Computing on Vector Systems 2008, Proceedings of the High Performance Computing Center Stuttgart.
Springer (2008)