Gefördert durch die

 

2014

  1. Antonov, Denis ; Häußermann, Timo ; Aird, Andrew ; Roth, Johannes ; Trebin, Hans-Rainer ; Müller, C. ; McGuinness, L. ; Jelezko, F. ; 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), S. 12213–12220
  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. Förster, Daniel Johannes ; Scharring, Stefan ; Roth, Johannes ; Eckel, Hans-Albert: Molecular Dynamics Simulations of Laser Induced Ablation for Micro Propulsion. In: Nagel, W. E. ; Kröner, D. B. ; Resch, M. M. ; Nagel, W. E. ; Kröner, D. B. ; Resch, M. M. (Hrsg.) ; Nagel, W. E. ; Kröner, D. B. ; Resch, M. M. (Hrsg.): High Performance Computing in Science and Engineering, High Performance Computing in Science and Engineering. Bd. 14 : Springer, 2014, S. 139–152
  9. 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
  10. Hilfer, Rudolf ; Lemmer, Andreas: Differential volumetry for random porous media. In: Transport in Porous Media, Transport in Porous Media. (2014)
  11. 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)
  12. 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)
  13. 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)
  14. Inci, Gizem ; Arnold, Axel ; Kronenburg, Andreas ; Weeber, Rudolf: Modelling nano-particle agglomeration using local interactions. In: Aerosol Science and Technology, Aerosol Science and Technology. Bd. 48 (2014), Nr. 8, S. 842–852
  15. Keller, Franz: Simulation of the morphogenesis of open-porous materials. Logos Verlag Berlin, 2015, PhD dissertation, 2014
  16. Kesselheim, Stefan: Simulations of DNA Translocation through Nanopores, Institut für Computerphysik, PhD dissertation, 2014
  17. 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
  18. 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
  19. Lotti, Marina ; Pleiss, Jürgen ; Valero, Francisco ; Ferrer, Pau: Effects of methanol on lipases: molecular, kinetic and process issues in the production of biodiesel. In: Biotechnology Journal, Biotechnology Journal. Bd. 10 (2014), S. 22–30
  20. 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)
  21. Maier, F.C. ; Fyta, Maria: Type-dependent identification of DNA nucleobases using diamondoids. In: ChemPhysChem, ChemPhysChem. (2014a)
  22. Maier, Frank C. ; Fyta, Dr. Maria: Type-Dependent Identification of DNA Nucleobases by Using Diamondoids. In: ChemPhysChem, ChemPhysChem. Bd. 15 (2014b), S. 3466–3475
  23. Pleiss, Jürgen: Systematic analysis of large enzyme families: identification of specificity- and selectivity-determining hotspots. In: ChemCatChem, ChemCatChem. Bd. 6 (2014), S. 944–950
  24. Scharnowski, Katrin ; Krone, Michael ; Reina, Guido ; Kulschewski, Tobias ; Pleiss, Jürgen ; Ertl, Thomas: Comparative Visualization of Molecular Surfaces Using Deformable Models. In: Comput. Graph. Forum, Comput. Graph. Forum. Bd. 3 (2014), S. 191–200
  25. Sivaraman, Ganesh ; Fyta, Maria: Diamondoids as DNA methylation and mutation probes. In: Europhysics Letters, Europhysics Letters. Bd. 108 (2014b), Nr. 17005
  26. Sivaraman, Ganesh ; Fyta, Maria: Derivatives of small diamondoids as biosensors for DNA nucleobases. In: Nanoscale, Nanoscale. Bd. 6 (2014a), Nr. 4225
  27. Vlasov, I. I. ; Shiryaev, A.A. ; Rendler, T. ; Steinert, S. ; Lee, S.-Y. ; Antonov, Denis ; Vörös, M. ; Jelezko, F. ; u. a.: Molecular-sized fluorescent nanodiamonds. In: Nat. Nano, Nat. Nano. (2014)