2014

  1. Antonov, Denis ; Häußermann, Timo ; Aird, Andrew ; Roth, Johannes ; Trebin, Hans-Rainer ; Müller, C. ; McGuinness, L. ; Jelezko, F. ; Yamamoto, T. ; u. a.: Statistical investigations on nitrogen vacancy center creation. In: Appl. Phys. Lett., Appl. Phys. Lett. (2014)
  2. Bakulin, Alexander V. ; Kulkov, S. S. ; Kulkova, Svetlana E. ; Hocker, Stephen ; Schmauder, Siegfried: Influence of substitutional impurities on hydrogen diffusion in B2-TiFe alloy. In: International Journal of Hydrogen Energy, International Journal of Hydrogen Energy. Bd. 39 (2014)
  3. Beck, F. ; Hirschler, Manuel ; Nieken, Ulrich ; Eberhard, P.: A study of truly incompressible and weakly compressible Smoothed Particle Hydrodynamics methods to model incompressible flows with free surfaces. In: Proceedings of the 85th Annual Meeting of the International Association of Applied Mathematics and Mechanics, Erlangen, Proceedings of the 85th Annual Meeting of the International Association of Applied Mathematics and Mechanics, Erlangen, 2014
  4. Bohner, Matthias ; Zeman, Johannes ; Smiatek, Jens ; Arnold, Axel ; Kästner, Johannes: Nudged-elastic band used to find reaction coordinates based on the free energy. In: J. Chem. Phys., J. Chem. Phys. Bd. 140 (2014), Nr. 74109
  5. Bohner, Matthias: Using umbrella integration to find minimum free energy paths, Institut für Theoretische Chemie, PhD dissertation, 2014
  6. Burch, Michael ; Blascheck, Tanja ; Louka, Christine ; Weiskopf, Daniel: Visualizing Hierarchy Changes by Dynamic Indented Plots. In: Proceedings of the International Joint Proceedings of the 5th International Conference on Information Visualization Theory and Applications, IVAPP ’14, Proceedings of the International Joint Proceedings of the 5th International Conference on Information Visualization Theory and Applications, IVAPP ’14, 2014
  7. Doster, F. ; Hilfer, Rudolf: A comparison between simulation and expriment for hysteretic phenomena during two phase immiscible displacement. In: Water Resources Research, Water Resources Research. Bd. 50 (2014)
  8. Eberhard, Peter ; Seifried, Robert ; Ergenzinger, Christian ; Stühler, Sven ; Spreng, F. ; Beck, Florian ; Müller, A. ; Fleissner, Florian: Particles - Bridging the Gap between Solids and Fluids. In: IUTAM Procedia, IUTAM Procedia. Bd. 10 (2014)
  9. Ertl, Thomas ; Krone, Michael ; Kesselheim, Stefan ; Scharnowski, Katrin ; Reina, Guido ; Holm, Christian: Visual Analysis for Space-Time Aggregation of Biomolecular Simulations. In: for Chemistry, R. S. (Hrsg.) Faraday Discussions, Faraday Discussions. Bd. 169 (2014)
  10. Grottel, Sebastian ; Heinrich, Julian ; Weiskopf, Daniel ; Gumhold, S.: Visual Analysis of Trajectories in Multi-Dimensional State Spaces. In: Computer Graphics Forum, Computer Graphics Forum. Bd. 33 (2014), Nr. 6
  11. Heinrich, Julian ; Krone, Michael ; Weiskopf, Daniel ; O’Donoghue, Seán: Visualising Intrinsic Disorder and Conformational Variation in Protein Ensembles. In: for Chemistry, R. S. (Hrsg.) Faraday Discussions, Faraday Discussions. Bd. 169 (2014)
  12. Hilfer, Rudolf ; Lemmer, Andreas: Differential volumetry for random porous media. In: Transport in Porous Media, Transport in Porous Media. (2014)
  13. Hirschler, Manuel ; Huber, M. ; Säckel, W. ; Kunz, P. ; Nieken, Ulrich: An Application of the Cahn-Hilliard Approach to Smoothed Particle Hydrodynamics. In: Mathematical Problems in Engineering, Article-ID 694894, Mathematical Problems in Engineering, Article-ID 694894. (2014)
  14. Hocker, Stephen ; Schmauder, Siegfried ; Bakulin, Alexander V. ; Kulkova, Svetlana E.: Ab initio investigation of tensile strengths of metal(111)/-Al2O3(0001) interfaces. In: Philosophical Magazine, Philosophical Magazine. Bd. 94 (2014b)
  15. Hocker, Stephen ; Binkele, Peter ; Schmauder, Siegfried: Precipitation in α -Fe based Fe-Cu-Ni-Mn-alloys: behaviour of Ni and Mn modelled by ab initio and kinetic Monte Carlo simulations. In: Applied Physics A, Applied Physics A. Bd. 115 (2014a)
  16. Inci, Gizem ; Kronenburg, Andreas ; Arnold, Axel: Characteristics of Soot Aggregates in Convective Environments. In: ETMM10, Marbella, Spain, ETMM10, Marbella, Spain, 2014b
  17. Inci, Gizem ; Kronenburg, Andreas ; Arnold, Axel ; Pflüger, Dirk: Statistical Analysis of Aerosol Structure in Shear Flows. In: International Aerosol Conference, Busan, Korea, International Aerosol Conference, Busan, Korea, 2014c
  18. Inci, Gizem ; Arnold, Axel ; Kronenburg, Andreas ; Weeber, Rudolf: Modelling nano-particle agglomeration using local interactions. In: Aerosol Science and Technology, Aerosol Science and Technology. (2014a)
  19. Kesselheim, Stefan: Simulations of DNA Translocation through Nanopores, Institut für Computerphysik, PhD dissertation, 2014
  20. Kesselheim, Stefan ; Müller, Wojciech ; Holm, Christian: Origin of Current Blockades in Nanopore Translocation Experiments. In: Physical Review Letters, Physical Review Letters. Bd. 112 (2014), Nr. 1
  21. Krone, Michael ; Huber, Markus ; Scharnowski, Katrin ; Hirschler, Manuel ; Kauker, Daniel ; Reina, Guido ; Nieken, Ulrich ; Weiskopf, Daniel ; Ertl, Thomas: Evaluation of Visualizations for Interface Analysis of SPH. In: EuroVis 2014 Short Papers, EuroVis 2014 Short Papers. Bd. 3, 2014a
  22. Krone, Michael ; Kauker, Daniel ; Reina, Guido ; Ertl, Thomas: Visual Analysis of Dynamic Protein Cavities and Binding Sites. In: IEEE PacificVis - Visualization Notes, IEEE PacificVis - Visualization Notes. Bd. 1, 2014b
  23. Kulschewski, Tobias ; Sasso, Francesco ; Secundo, Francesco ; Lotti, Marina ; Pleiss, Jürgen: Effect of organic solvent and water to the catalytic activity of C.antarctica lipase B. In: Poster session during the CECAM workshop „Biological molecules under non-natural conditions“, Stuttgart, Poster session during the CECAM workshop „Biological molecules under non-natural conditions“, Stuttgart, 2014. — Unrezensiertes Poster
  24. Lawonn, Kai ; Krone, Michael ; Ertl, Thomas ; Preim, Bernhard: Line Integral Convolution for Real-Time Illustration of Molecular Surface Shape and Salient Regions. In: Computer Graphics Forum, Computer Graphics Forum. Bd. 33 (2014), Nr. 3
  25. Lotti, Marina ; Pleiss, Jürgen ; Valero, Francisco ; Ferrer, Pau: Effects of methanol on lipases: molecular, kinetic and process issues in the production of biodiesel. In: Biotechnol J, Biotechnol J. Bd. 10 (2014)
  26. Maier, F.C. ; Sivaraman, Ganesh ; Fyta, Maria: The role of a diamondoid as a hydrogen donor or acceptor in probing DNA nucleobases. In: European Physical Journal E 37, European Physical Journal E 37. Bd. 95 (2014)
  27. Maier, F.C. ; Fyta, Maria: Type-dependent identification of DNA nucleobases using diamondoids. In: ChemPhysChem, ChemPhysChem. (2014)
  28. Mwalongo, Finian ; Krone, Michael ; Karch, Grzegorz Karol ; Becher, Michael ; Reina, Guido ; Ertl, Thomas: Visualization of Molecular Structures using State-of-the-Art Techniques in WebGL. In: International Conference on 3D Web Technology (Web3D’14), International Conference on 3D Web Technology (Web3D’14). Bd. 19, 2014
  29. Müller, Thomas: MPPhys – A many-particle simulations package for computational physics education. In: Computer Physics Communications, Computer Physics Communications. Bd. 185 (2014)
  30. Pleiss, Jürgen: Systematic analysis of large enzyme families:  identification of specificity- and selectivity-determining hotspots. In: ChemCatChem, ChemCatChem. Bd. 6 (2014)
  31. Scharnowski, Katrin ; Krone, Michael ; Reina, Guido ; Kulschewski, Tobias ; Pleiss, Jürgen ; Ertl, Thomas: Comparative Visualization of Molecular Surfaces Using Deformable Models. In: Computer Graphics Forum, Computer Graphics Forum. Bd. 33 (2014), Nr. 3
  32. Sivaraman, Ganesh ; Fyta, Maria: Diamondoids as DNA methylation and mutation probes. In: Europhysics Letters, Europhysics Letters. Bd. 108 (2014b), Nr. 17005
  33. Sivaraman, Ganesh ; Fyta, Maria: Derivatives of small diamondoids as biosensors for DNA nucleobases. In: Nanoscale, Nanoscale. Bd. 6 (2014a), Nr. 4225
  34. Vlasov, I. I. ; Shiryaev, A.A. ; Rendler, T. ; Steinert, S. ; Lee, S.-Y. ; Antonov, Denis ; Vörös, M. ; Jelezko, F. ; Fisenko, A.V. ; u. a.: Molecular-sized fluorescent nanodiamonds. In: Nat. Nano, Nat. Nano. (2014)