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Publikationen im Jahr 2011

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Artikel

Beck, Philipp; Brommer, Peter; Roth, Johannes; Trebin, Hans-Rainer: Ab initio based polarizable force field generation and application to liquid silica and magnesia.
The Journal of Chemical Physics 135, S. 234512 (2011).
GPU-powered tools boost molecular visualization
Chavent, Matthieu; Lévy, Bruno; Krone, Michael; Bidmon, Katrin; Nominé, Jean-Philippe; Ertl, Thomas; Baaden, Marc: GPU-powered tools boost molecular visualization.
Briefings in Bioinformatics 12 (6), S. 689-701 (2011).
Doster, F.; Hilfer, Rudolf: Generalized Buckley-Leverett theory for two phase flow in porous media.
New Journal of Physics 13, S. 123030 (2011).
Ergenzinger, Christian; Seifried, Robert; Eberhard, Peter: A Discrete Element Model to Describe Failure of Strong Rock in Uniaxial Compression.
Granular Matter 13 (4), S. 341-364 (2011).
Progressive Splatting of Continuous Scatterplots and Parallel Coordinates
Heinrich, Julian; Bachthaler, Sven; Weiskopf, Daniel: Progressive Splatting of Continuous Scatterplots and Parallel Coordinates.
Computer Graphics Forum 30 (3), S. 653–662 (2011).
Hilfer, Rudolf; Zauner, Thomas: High precision synthetic computed tomography of reconstructed porous media.
Phys.Rev.E 84, S. 062301 (2011).
Hocker, Stephen; Schmauder, Siegfried; Kumar, P.: Molecular dynamics simulations of Ni/NiAl interfaces.
European Physical Journal B 82, S. 133-141 (2011).
Horsch, Martin; Lin, Z.; Windmann, T.; Hasse, Hans; Vrabec, Jadran: The air pressure effect on the homogeneous nucleation of carbon dioxide by molecular simulation.
Atmospheric Research 101, S. 519-526 (2011).
Kesselheim, Stefan; Sega, Marcello; Holm, Christian: Applying ICC* to DNA translocation: Effect of dielectric boundaries.
Computer Physics Communications 182 (1), S. 33-35 (2011).
Interactive Exploration of Protein Cavities
Krone, Michael; Falk, Martin; Rehm, Sascha; Pleiss, Jürgen; Ertl, Thomas: Interactive Exploration of Protein Cavities.
Computer Graphics Forum 30 (3), S. 673-682 (2011).
Protein design in metabolic engineering and synthetic biology
Pleiss, Jürgen: Protein design in metabolic engineering and synthetic biology.
Curr.Opin.Biotech. 22, S. 1-7 (2011).
Continuum-based rock model of a reservoir dolostone with four orders of magnitude in pore sizes
Roth, Sven; Biswal, Bibhu; Afshar, Ghazaleh; Held, Rudolf J.; Øren, Pål-Eric; Berge, Lars Inge; Hilfer, Rudolf: Continuum-based rock model of a reservoir dolostone with four orders of magnitude in pore sizes.
AAPG Bulletin 95, S. 925 (2011).
Shenderova, O. A.; Vlasov, I. I.; Turner, S.; Van Tendeloo, G.; Orlinskii, S. B.; Shiryaev, A.A.; Khomich, A. A.; Sulyanov, S. N.; Jelezko, F.; Wrachtrup, Jörg: Nitrogen Control in Nanodiamond Produced by Detonation Shock-Wave-Assisted Synthesis.
(2011).
Sonntag, Steffen; Trichet Paredes, C.; Roth, Johannes; Trebin, Hans-Rainer: Molecular Dynamics Simulations of Cluster Distribution from Femtosecond Laser Ablation.
Aluminum Applied Physics A 104 (2), S. 559-565 (2011).
Kästner, Johannes: Umbrella sampling.
Wiley Interdisciplinary Reviews: Computational Molecular Science 1, S. 932–942 (2011).
Wafai, Amer; Ahmed, Zaheer; Keller, Rainer; Holzmann, Sven; Sander, Björn; Resch, Michael: Optimization of industrial Neural Network simulators for GPGPUs..
Lecture Notes in Computer Science (LNCS) 7048 (2011).

Kapitel eines Buches

Roth, Johannes; Karlin, 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 (2011).

Paper

Loose Capacity-Constrained Representatives for the Qualitative Visual Analysis in Molecular Dynamics
Frey, Steffen; Schlömer, Thomas ; Grottel, Sebastian; Dachsbacher, Carsten; Deussen, Oliver; Ertl, Thomas: Loose Capacity-Constrained Representatives for the Qualitative Visual Analysis in Molecular Dynamics.
In: Proceedings of the 2011 IEEE Pacific Visualization Symposium, S. 51-58 (2011).
Parallel Contour-Buildup Algorithm for the Molecular Surface
Krone, Michael; Grottel, Sebastian; Ertl, Thomas: Parallel Contour-Buildup Algorithm for the Molecular Surface.
In: Proceedings of IEEE Symposium on Biological Data Visualization (biovis'11), S. 17-22 (2011).
Interactive Exploration of Polymer-Solvent Interactions
Thomaß, Bertram; Walter, Jonathan; Krone, Michael; Hasse, Hans; Ertl, Thomas: Interactive Exploration of Polymer-Solvent Interactions.
In: International Workshop on Vision, Modeling and Visualization 16, S. 301-308 (2011).

Paper (kein Review)

Engel, Michael; Roth, Johannes; Trebin, Hans-Rainer: Eine unmögliche Entdeckung.
In: Physik Journal 12, S. 31-35 (2011).
Gribova, Nadezhda; Holm, Christian; Groß, Joachim: Interactions between capped gold nanocrystals: three-body effects.
In: Poster session during Jülich Soft Matter Days 2011 in Gustav-Stresemann-Institut, Bonn, Germany (2011).

Poster (kein Review)

Kulschewski, Tobias; Gruber, C.C.; Pleiss, Jürgen: Simulation of C.antarctica lipase B in hydrophobic environments: the critical role of water.
In: Poster session during International conference Biotrans, Messina (2011).
Kulschewski, Tobias; Lehmann, A.; Rehm, Sascha; Pleiss, Jürgen: Modelling of lipases in organic solvents.
In: Poster session during European Symposium of the Protein Society, Stockholm (2011).

Diplom- oder Masterarbeit

Weik, Florian: Implementation of an improved P3M algorithm. University of Stuttgart, Institute for Computational Physics (2011).

Dissertation

Computer simulations of laser ablation from simple metals to complex metallic alloys
Sonntag, Steffen: Computer simulations of laser ablation from simple metals to complex metallic alloys. Diss., Institut für Theoretische und Angewandte Physik, Universität Stuttgart (2011).