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Gefördert durch die
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Publikationen im Jahr 2012

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Artikel

Magnetic Flux Topology of 2D Point Dipoles
Bachthaler, Sven; Sadlo, Filip; Weeber, Rudolf; Kantorovich, Sofia S.; Holm, Christian; Weiskopf, Daniel: Magnetic Flux Topology of 2D Point Dipoles.
Computer Graphics Forum 31 (3), S. 955-964 (2012).
Beck, Philipp; Brommer, Peter; Roth, Johannes; Trebin, Hans-Rainer: Influence of polarizability on metal oxide properties studied by molecular dynamics simulations.
Journal of Physics: Condensed Matter (selected for inclusion in IOPselect) 24, S. 485401 (2012).
Bohner, Matthias; Kästner, Johannes: An algorithm to find minimum free-energy paths using umbrella integration.
Journal of Chemical Physics 137, S. 034105 (2012).
Ergenzinger, Christian; Seifried, Robert; Eberhard, Peter: A Discrete Element Approach to Model Breakable Railway Ballast.
ASME Journal of Computational and Nonlinear Dynamics (Special Issue on Railroad Vehicle Dynamics) 7 (4), S. 0410101-8 (2012).
Ergenzinger, Christian; Seifried, Robert; Eberhard, Peter: A Discrete Element Model for Degradation of Ballast Tracks..
PAMM Proceedings in Applied Mathematics and Mechanics 12 (1), S. 49-50 (2012).
Ergenzinger, Christian; Seifried, Robert; Eberhard, Peter: A Discrete Element Model Predicting the Strength of Ballast Stones.
Computers & Structures, Special Issue ECT 2010 108, S. 3-13 (2012).
Visualization of Electrostatic Dipoles in Molecular Dynamics of Metal Oxides
Grottel, Sebastian; Beck, Philipp; Müller, Christoph; Reina, Guido; Roth, Johannes; Trebin, Hans-Rainer; Ertl, Thomas: Visualization of Electrostatic Dipoles in Molecular Dynamics of Metal Oxides.
IEEE Transactions on Visualization and Computer Graphics 18 (12), S. 2061-2068 (2012).
Grotz, B.; Hauf, M. V. ; Dankerl, M.; Naydenov, B.; Pezzagna, S.; Meijer, J.; Jelezko, F.; Wrachtrup, Jörg; Stutzmann, M.; Reinhard, F.; Garrido, J. A.: Charge state manipulation of qubits in diamond.
Nat. Commun. (2012).
Evaluation of a Bundling Technique for Parallel Coordinates
Heinrich, Julian; Luo, Yuan; Kirkpatrick, Arthur E.; Weiskopf, Daniel: Evaluation of a Bundling Technique for Parallel Coordinates.
Proceedings of International Conference on Information Visualization Theory and Applications, S. 594-602 (2012).
Hocker, Stephen; Beck, Philipp; Schmauder, Siegfried; Roth, Johannes; Trebin, Hans-Rainer: Simulation of crack propagation in alumina with ab initio based polarizable force field..
The Journal of Chemical Physics 136, S. 084707 (2012).
Hutt, Meike; Kulschewski, Tobias; Pleiss, Jürgen: Molecular modelling of the mass density of single proteins.
Journal of Biomolecular Structure and Dynamics 30 (3), S. 318-327 (2012).
Kesselheim, Stefan; Sega, Marcello; Holm, Christian: Effects of dielectric mismatch and chain flexibility on the translocation barriers of charged macromolecules through solid state nanopores.
Soft Matter 8, S. 36 (2012).
Kuchelmeister, Daniel; Müller, Thomas; Ament, Marco; Wunner, Günter; Weiskopf, Daniel: GPU-based four-dimensional general-relativistic ray tracing.
Computer Physics Communications 183, S. 2282–2290 (2012).
Kulkova, Svetlana E.; Bakulin, Alexander V.; Chulkov, E.; Hocker, Stephen; Schmauder, Siegfried: First-principles study of the hydrogen absorption at Σ5 symmetrical tilt grain boundary in B2-TiFe alloy.
International Journal of Hydrogen Energy 37, S. 6666-6673 (2012).
Kulkova, Svetlana E.; Hocker, Stephen; Schmauder, Siegfried; Bakulin, Alexander V.; Kulkov, S. S.: Hydrogen Sorption in Titanium Alloys with a Symmetric Σ5(310) Tilt Grain Boundary and a (310) Surface.
Journal of Experimental and Theoretical Physics 115 (3), S. 462–473 (2012).
Molnar, David ; Binkele, Peter; Hocker, Stephen; Schmauder, Siegfried: Atomistic multiscale simulations on the anisotropic tensile behaviour of copper-alloyed α-iron at different states of thermal ageing.
Philosophical Magazine 92, S. 586-607 (2012).
Müller, Thomas; Weiskopf, Daniel: Detailed study of null and timelike geodesics in the Alcubierre warp spacetime.
General Relativity and Gravitation 44, S. 509-533 (2012).
Interactive visualization of a thin disc around a Schwarzschild black hole
Müller, Thomas; Frauendiener, Jörg: Interactive visualization of a thin disc around a Schwarzschild black hole.
European Journal of Physics 33, S. 955-963 (2012).
Röhm, Dominic; Arnold, Axel: Lattice Boltzmann simulations on GPUs with ESPResSo.
The European Physical Journal-Special Topics 210 (1), S. 89--100 (2012).
Umbrella Integration with Higher-Order Correction Terms
Kästner, Johannes: Umbrella Integration with Higher-Order Correction Terms.
Journal of Chemical Physics 136, S. 234102 (2012).
Wafai, Amer; Glass, Colin; Niethammer, Christoph: Portable Codes on Many-Core Architectures.
Lecture Notes in Computer Science (LNCS) - Facing the Multicore-Challenge III 7686 (2012).

Kapitel eines Buches

GPU-Accelerated Visualization
Ament, Marco; Frey, Steffen; Müller, Christoph; Grottel, Sebastian; Ertl, Thomas; Weiskopf, Daniel: GPU-Accelerated Visualization.
In: E. W. Bethel, H. Childs, and C. Hansen: High Performance Visualization: Enabling Extreme-Scale Scientific Insight. Chapman and Hall/CRC (2012).
Arnold, Axel; Lenz, Olaf; Kesselheim, Stefan; Weeber, Rudolf; Fahrenberger, Florian; Röhm, Dominic; Kosovan, P.; Holm, Christian: ESPResSo 3.1 - Molecular Dynamics Software for Coarse-Grained Models.
In: M. Griebel, M.A. Schweitzer : Lecture Notes in Computational Science and Engineering. Springer (2012).
Karlin, Johannes; Roth, Johannes; Ulrich, C.; Trebin, Hans-Rainer; Sonntag, Steffen: Laser Ablation of Aluminium: Drops and Voids High Performance Computing.
In: W. E. Nagel, D. B. Kröner, M. M. Resch: Science and Engineering '11. Heidelberg : Springer (2012).
Kulschewski, Tobias; Pleiss, Jürgen: Simulation of enzymes in organic solvents.
In: Lutz S, Bornscheuer UT: Protein Engineering Handbook. Weinheim: Wiley-VCH. (2012).
Pleiss, Jürgen: Rational design of enzymes.
In: Drauz K, Gröger H, May O: Enzyme catalysis in organic synthesis. Weinheim: Wiley-VCH (2012).

Paper

Space-Time Visualization of Dynamics in Lagrangian Coherent Structures of Time-Dependent 2D Vector Fields
Bachthaler, Sven; Sadlo, Filip; Dachsbacher, Carsten; Weiskopf, Daniel: Space-Time Visualization of Dynamics in Lagrangian Coherent Structures of Time-Dependent 2D Vector Fields.
In: International Conference on Information Visualization Theory and Applications, S. 573-583 (2012).
Atomistic Visualization of Mesoscopic Whole-Cell Simulations
Falk, Martin; Krone, Michael; Ertl, Thomas: Atomistic Visualization of Mesoscopic Whole-Cell Simulations.
In: EG Workshop on Visual Computing for Biology and Medicine (VCBM), S. 123-130 (2012).
Frey, Steffen; Reina, Guido; Ertl, Thomas: SIMT Microscheduling: Reducing Thread Stalling in Divergent Iterative Algorithms.
In: 20th Euromicro International Conference on Parallel, Distributed and Network-Based Processing (PDP), 2012, S. 399-406 (2012).
Object-Space Ambient Occlusion for Molecular Dynamics
Grottel, Sebastian; Krone, Michael; Scharnowski, Katrin; Ertl, Thomas: Object-Space Ambient Occlusion for Molecular Dynamics.
In: Proceedings of IEEE Pacific Visualization Symposium 2012, S. 209-216 (2012).
Fast Visualization of Gaussian Density Surfaces for Molecular Dynamics and Particle System Trajectories
Krone, Michael; Stone, John E.; Ertl, Thomas; Schulten, Klaus: Fast Visualization of Gaussian Density Surfaces for Molecular Dynamics and Particle System Trajectories.
In: EuroVis 2012 Short Papers 1, S. 67-71 (2012).
Roth, Johannes; Sonntag, Steffen; Karlin, Johannes; Trichet Paredes, C.; Sartison, M.; Krauß, A.; Trebin, Hans-Rainer: Molecular dynamics simulations studies of laser ablation in metals .
In: AIP Conf. Proc. 1464, S. 504-523 (2012).

Paper (kein Review)

Roth, Johannes; Sonntag, Steffen; Karlin, Johannes; Trebin, Hans-Rainer: Laser Ablation of Metals.
In: : Generation of Drops and Bubbles InSiDe (Innovatives Supercomputing in Deutschland) 10 (1), S. 30-35 (2012).

Poster (kein Review)

Kulschewski, Tobias; Pleiss, Jürgen: Simulation of Proteins in organic solvents.
In: Poster session during the DECHEMA Thermodynamik Kolloquium, Potsdam (2012).

Diplom- oder Masterarbeit

Müller, Wojciech: Full atomistic simulations of DNA in a nanopore. (2012).
Antonov, Denis: Investigation of Defect-Centers in Carbon-Nanoclusters using MD-Simulations. Universität Stuttgart, 3. Physikalischen Institut (2012).
Moussa, Nooreldin Metwally : Molecular Dynamics Simulations of the Nanoindentation and Nanoscratching of Aluminum and Aluminum based Alloys. Master thesis, Institute for Materials Testing, Materials Science and Strength of Materials, University of Stuttgart (2012).
Häußermann, Timo: Numerical simulations on stability and dynamics of defects in diamond. Universität Stuttgart, 3. Physikalischen Institut (2012).

Dissertation

Molecular dynamics of metal oxides with electrostatic induced dipole moments
Beck, Philipp: Molecular dynamics of metal oxides with electrostatic induced dipole moments. Diss., Institut für Theoretische und Angewandte Physik, Universität Stuttgart (2012).
Point-based Visualization of Molecular Dynamics Data Sets
Grottel, Sebastian: Point-based Visualization of Molecular Dynamics Data Sets. Diss., Visualisierungsinstitut der Universität Stuttgart (2012).