Funded by

 

2015

  1. Adhikari, Bibek ; Fyta, Maria: Towards double-functionalized small diamondoids: selective electronic band-gap tuning. In: Nanotechnology, Nanotechnology. Bd. 26 (2015), Nr. 35701
  2. Bauer, Gernot ; Lange, Alexander ; Gribova, Nadezhda ; Holm, Christian ; Groß, Joachim: Effective potentials between gold nano crystals–functional dependence on temperature. In: Molecular Simulation, Molecular Simulation. Bd. 41 (2015), Nr. 14
  3. Breitsprecher, K. ; Szuttor, K. ; Holm, C: Electrode Models for Ionic Liquid-Based Capacitors. In: The Journal of Chemical Physics C, The Journal of Chemical Physics C. Bd. 119 (2015), Nr. 39, S. 22445--22451
  4. Brommer, Peter ; Kiselev, Alexander ; Schopf, Daniel ; Beck, Philipp ; Roth, Johannes ; Trebin, Hans-Rainer: Classical interaction potentials for diverse materials from ab initio data: a review of potfit. In: Modelling and Simulation in Materials Science and Engineering, Modelling and Simulation in Materials Science and Engineering. Bd. 23, IOP Publishing Ltd. (2015), Nr. 074002
  5. Fahrenberger, F. ; Hickey, O. A. ; Smiatek, J. ; Holm, C.: The influence of charged-induced variations in the local permittivity on the static and dynamic properties of polyelectrolyte solutions. In: The Journal of Chemical Physics, The Journal of Chemical Physics. Bd. 143 (2015b), Nr. 243140
  6. Fahrenberger, F. ; Hickey, O. A. ; Smiatek, J. ; Holm, C.: Importance of varying permittivity on the conductivity of polyelectrolyte solutions. In: Physical Review Letters, Physical Review Letters. Bd. 115 (2015a), Nr. 118301
  7. Fyta, Maria: Threading DNA through nanopores for biosensing applications. In: J. Phys.: Cond. Matter, J. Phys.: Cond. Matter. Bd. 27 (2015), Nr. 273101
  8. Grottel, Sebastian ; Krone, Michael ; Müller, Christoph ; Reina, Guido ; Ertl, Thomas: MegaMol – A Prototyping Framework for Particle-based Visualization. In: IEEE Transactions on Visualization and Computer Graphics, IEEE Transactions on Visualization and Computer Graphics. Bd. 21, IEEE (2015), Nr. 2
  9. Hirschler, Manuel ; Kunz, P. ; Säckel, W. ; Huber, M. ; Nieken, Ulrich: Droplet dynamics: Comparison of Smoothed Particle Hydrodynamics and experimental results. In: Proceedings of the 7th International Berlin Workshop on Transport Phenomena with Moving Boundaries and More, 30.-31.10.2014, Fortschr.Ber. VDI Reihe 3, Proceedings of the 7th International Berlin Workshop on Transport Phenomena with Moving Boundaries and More, 30.-31.10.2014, Fortschr.Ber. VDI Reihe 3., VDI Verlag (2015b), Nr. 947
  10. Hirschler, Manuel ; Huber, M. ; Oger, G. ; Kunz, P. ; Le Touzé, D. ; Nieken, Ulrich: Modeling of quantitative droplet dynamics with coalescence-bouncing transition in a pseudo-single-phase system using ISPH and WCSPH. In: Proceedings of the 10th International SPHERIC Workshop, 16.-18.06.2015, Parma, Italy, Proceedings of the 10th International SPHERIC Workshop, 16.-18.06.2015, Parma, Italy, 2015a
  11. Kozlikova, Barbora ; Krone, Michael ; Lindow, Norbert ; Falk, Martin ; Baaden, Marc ; Baum, Daniel ; Viola, Ivan ; Parulek, Julius ; u. a.: Visualization of biomolecular structures: state of the art. In: Borgo, R. ; Ganovelli, F. ; Viola, I. ; Borgo, R. ; Ganovelli, F. ; Viola, I. (Hrsg.) ; Borgo, R. ; Ganovelli, F. ; Viola, I. (Hrsg.): Eurographics Conference on Visualization (EuroVis)-STARs, Eurographics Conference on Visualization (EuroVis)-STARs : The Eurographics Association, 2015 — ISBN 978-3-905674-99-6, S. 61–81
  12. Kozlíková, Barbora ; Krone, Michael ; Lindow, Norbert ; Falk, Martin ; Baaden, Marc ; Baum, Daniel ; Viola, Ivan ; Parulek, Julius ; u. a.: Visualization of Molecular Structure: State of the Art. In: Eurographics Conference on Visualization (EuroVis) - STARs, Eurographics Conference on Visualization (EuroVis) - STARs, 2015
  13. Krone, Michael ; Müller, Christoph ; Ertl, Thomas ; Kauker, Daniel ; Silva, Augusto Cravo ; Salsa, Diana ; Gräber, Manuel ; Kallert, Manuela: Remote Rendering and User Interaction on Mobile Devices for Scientific Visualization. In: International Symposium on Visual Information Communication and Interaction (VINCI), International Symposium on Visual Information Communication and Interaction (VINCI). Bd. 8 : ACM, 2015
  14. Krone, Michael: Interactive Visual Analysis of Biomolecular Simulations, Universität Stuttgart, 2015
  15. Kulkova, Svetlana E. ; Bakulin, Alexander V. ; Kulkov, S. S. ; Hocker, Stephen ; Schmauder, Siegfried: Influence of interstitial impurities on the Griffith work in Ti-based alloys. In: Physica Scripta, Physica Scripta. Bd. 90 (2015), Nr. 94010
  16. Kuron, Michael ; Arnold, Axel: Role of geometrical shape in like-charge attraction of DNA. In: European Physical Journal E: Soft Matter, European Physical Journal E: Soft Matter. Bd. 38, Springer (2015), Nr. 3, S. 20
  17. Lange, Alexander ; Danecker, Fabian ; Bauer, Gernot ; Gribova, Nadezhda ; Groß, Joachim: Different ways of looking at the force between two nanocrystals. In: The Journal of Chemical Physics, The Journal of Chemical Physics. Bd. 143 (2015), Nr. 24
  18. Lawonn, Kai ; Krone, Michael ; Ertl, Thomas ; Preim, Bernhard: On the Reproducibility of Line Integral Convolution for Real-Time Illustration of Molecular Surface Shape and Salient Regions. In: EuroRV3: EuroVis Workshop on Reproducibility, Verification, and Validation in Visualization, EuroRV3: EuroVis Workshop on Reproducibility, Verification, and Validation in Visualization. Bd. 3, 2015. — Rezensiertes Abstract
  19. Lesch, Volker ; Heuer, Andreas ; Tatsis, Vasileios A. ; Holm, Christian ; Smiatek, Jens: Peptides in the presence of aqueous ionic liquids: tunable co-solutes as denaturants or protectants? In: Physical Chemistry Chemical Physics, Physical Chemistry Chemical Physics. Bd. 17, The Royal Society of Chemistry (2015), Nr. 39, S. 26049--26053
  20. Minina, Elena ; Arnold, Axel: Entropic segregation of ring polymers in cylindrical confinement. In: Macromolecules, Macromolecules. Bd. 48 (2015), Nr. 14, S. 4998--5005
  21. Mwalongo, Finian ; Krone, Michael ; Becher, Michael ; Reina, Guido ; Ertl, Thomas: Remote Visualization of Dynamic Molecular Data using WebGL. In: ACM ; ACM (Hrsg.) ; ACM (Hrsg.): International Conference on 3D Web Technology (Web3D), International Conference on 3D Web Technology (Web3D). Bd. 20, 2015
  22. Müller, Christoph ; Krone, Michael ; Scharnowski, Katrin ; Reina, Guido ; Ertl, Thomas: On the Utility of Large High-Resolution Displays for Comparative Scientific Visualisation. In: International Symposium on Visual Information Communication and Interaction (VINCI), International Symposium on Visual Information Communication and Interaction (VINCI). Bd. 8 : ACM, 2015
  23. Panagiotidis, Alexandros ; Frey, Steffen ; Ertl, Thomas: Exploratory Performance Analysis and Tuning of Parallel Interactive Volume Visualization on Large Displays. In: Bertini, E. ; Kennedy, J. ; Puppo, E. ; Bertini, E. ; Kennedy, J. ; Puppo, E. (Hrsg.) ; Bertini, E. ; Kennedy, J. ; Puppo, E. (Hrsg.): Eurographics Conference on Visualization - Short Papers, Eurographics Conference on Visualization - Short Papers : Eurographics Association, 2015a
  24. Panagiotidis, Alexandros ; Reina, Guido ; Burch, Michael ; Pfannkuch, Tilo ; Ertl, Thomas: Consistently GPU-Accelerated Graph Visualization. In: International Symposium on Visual Information Communication and Interaction, International Symposium on Visual Information Communication and Interaction. Bd. 8 : ACM, 2015b
  25. Pfeiffer, Marcel ; Munz, Claus-Dieter ; Fasoulas, Stefanos: Hyperbolic divergence cleaning, the electrostatic limit, and potential boundary conditions for particle-in-cell codes. In: Journal of Computational Physics, Journal of Computational Physics. Bd. 294 (2015b), S. 547–561
  26. Pfeiffer, Marcel ; Mirza, Asim ; Munz, Claus-Dieter ; Fasoulas, Stefanos: Two statistical particle split and merge methods for Particle-in-Cell codes. In: Computer Physics Communications, Computer Physics Communications. Bd. 191 (2015a), S. 9–24
  27. Raafatnia, Shervin ; Hickey, Owen A. ; Holm, Christian: Electrophoresis of a Spherical Polyelectrolyte-Grafted Colloid in Monovalent Salt Solutions: Comparison of Molecular Dynamics Simulations with Theory and Numerical Calculations. In: Macromolecules, Macromolecules. Bd. 48 (2015), Nr. 3, S. 775–787
  28. Rau, Benjamin ; Frieß, Florian ; Krone, Michael ; Müller, Christoph ; Ertl, Thomas: Enhancing Visualization of Molecular Simulations using Sonification. In: International Workshop on Virtual and Augmented Reality for Molecular Science (VARMS@IEEEVR), International Workshop on Virtual and Augmented Reality for Molecular Science (VARMS@IEEEVR). Bd. 1 : IEEE, 2015
  29. Sasso, Francesco ; Kulschewski, Tobias ; Secundo, Francesco ; Lotti, Marina ; Pleiss, Jürgen: The effect of thermodynamic properties of solvent mixtures explains the difference between methanol and ethanol in C.antarctica lipase B catalyzed alcoholysis. In: J Biotechnol, J Biotechnol. Bd. 2015 (2015), Nr. 214
  30. Scharnowski, Katrin ; Krone, Michael ; Reina, Guido ; Ertl, Thomas: On the Reproducibility of our Biomolecular Visualization. In: Aigner, W. ; Rosenthal, P. ; Scheidegger, C. ; Aigner, W. ; Rosenthal, P. ; Scheidegger, C. (Hrsg.) ; Aigner, W. ; Rosenthal, P. ; Scheidegger, C. (Hrsg.): EuroRV3: EuroVis Workshop on Reproducibility, Verification, and Validation in Visualization, EuroRV3: EuroVis Workshop on Reproducibility, Verification, and Validation in Visualization. Bd. 3 : The Eurographics Association, 2015. — Rezensiertes Abstract
  31. Taudt, Aaron ; Arnold, Axel ; Pleiss, Jürgen: Simulation of protein association -  Kinetic pathways towards crystal contacts. In: Phys Rev E, Phys Rev E. Bd. 2015 (2015), Nr. 91
  32. Vehlow, Corinna ; Kao, David P. ; Bristow, Michael R. ; Hunter, Lawrence E. ; Weiskopf, Daniel ; Görg, Carsten: Visual analysis of biological data-knowledge networks. In: BMC Bioinformatics, BMC Bioinformatics. Bd. 16 (2015c), Nr. 135
  33. Vehlow, Corinna ; Beck, Fabian ; Weiskopf, Daniel: The State of the Art in Visualizing Group Structures in Graphs. In: Borgo, R. ; Ganovelli, F. ; Viola, I. ; Borgo, R. ; Ganovelli, F. ; Viola, I. (Hrsg.) ; Borgo, R. ; Ganovelli, F. ; Viola, I. (Hrsg.): Eurographics Conference on Visualization (EuroVis) - STARs, Eurographics Conference on Visualization (EuroVis) - STARs : The Eurographics Association, 2015b
  34. Vehlow, Corinna ; Beck, Fabian ; Auwärter, Patrick ; Weiskopf, Daniel: Visualizing the Evolution of Communities in Dynamic Graphs. In: Computer Graphics Forum, Computer Graphics Forum. Bd. 34 (2015a), Nr. 1
  35. Vögele, Martin ; Holm, Christian ; Smiatek, Jens: Coarse-grained simulations of polyelectrolyte complexes: MARTINI models for poly(styrene sulfonate) and poly(diallyldimethylammonium). In: Journal of Chemical Physics, Journal of Chemical Physics. Bd. 143 (2015a), Nr. 243151
  36. Vögele, Martin ; Holm, Christian ; Smiatek, Jens: Properties of the polarizable MARTINI water model: A comparative study for aqueous electrolyte solutions. In: Journal of Molecular Liquids, Journal of Molecular Liquids. Bd. 212 (2015b), S. 103--110