2016

  1. Bakulin, Alexander V. ; Spiridonova, T. I. ; Kulkova, Svetlana E. ; Hocker, Stephen ; Schmauder, Siegfried: Hydrogen diffusion in doped and undoped alpha-Ti: An ab-initio investigation. In: International Journal of Hydrogen Energy, International Journal of Hydrogen Energy. Bd. 41 (2016)
  2. Bauer, Gernot ; Lange, Alexander ; Gribova, Nadezhda ; Holm, Christian ; Groß, Joachim: Three-body effects in triplets of capped gold nanocrystals. In: Molecular Physics, Molecular Physics. (2016)
  3. Falk, Martin ; Grottel, Sebastian ; Krone, Michael ; Reina, Guido: Interactive GPU-based Visualization of Large Dynamic Particle Data : Morgan & Claypool Publishers, 2016
  4. Fávaro de Oliveira, Felipe ; Momenzadeh, S. Ali ; Antonov, Denis ; Scharpf, Jochen ; Osterkamp, Christian ; Naydenov, Boris ; Jelezko, Fedor ; Denisenko, Andrej ; Wrachtrup, Jörg: Toward Optimized Surface δ-Profiles of Nitrogen-Vacancy Centers Activated by Helium Irradiation in Diamond. In: Nano Lett., Nano Lett., 2016
  5. Grottel, Sebastian ; Reina, Guido ; Krone, Michael ; Müller, Christoph ; Ertl, Thomas: MegaMol - for Fun and Profit. In: Workshop on Visualization in Practice, Workshop on Visualization in Practice, 2016
  6. Hirschler, Manuel ; Kunz, P. ; Huber, M. ; Hahn, F. ; Nieken, Ulrich: Open boundary conditions for ISPH and their application to micro-flow. In: Journal of Computational Physics, Journal of Computational Physics. (2016a)
  7. Hirschler, Manuel ; Säckel, W. ; Nieken, Ulrich: On Maxwell–Stefan diffusion in Smoothed Particle Hydrodynamics. In: International Journal of Heat and Mass Transfer, International Journal of Heat and Mass Transfer. Bd. 103 (2016b)
  8. Hirschmann, Steffen ; Glass, Colin ; Pflüger, Dirk: Towards understanding optimal load balancing of heterogeneous short-range molecular dynamics, Workshop on High Performance Computing and Big Data in Molecular Engineering 2016 (HBME) : Workshop on High Performance Computing and Big Data in Molecular Engineering 2016 (HBME), 2016
  9. Hocker, Stephen ; Hummel, Martin ; Binkele, Peter ; Lipp, Hansjörg ; Schmauder, Siegfried: Molecular dynamics simulations of tensile tests of Ni- Cu- Mg- and Ti-alloyed aluminium nanopolycrystals. In: Computational Materials Science, Computational Materials Science. Bd. 116 (2016)
  10. Kauker, Daniel ; Falk, Martin ; Reina, Guido ; Ynnerman, Anders ; Ertl, Thomas: VoxLink - Combining sparse volumetric data and geometry for efficient rendering. In: Computational Visual Media, Computational Visual Media. (2016)
  11. Kozlíková, Barbora ; Krone, Michael ; Falk, Martin ; Lindow, Norbert ; Baaden, Marc ; Baum, Daniel ; Viola, Ivan ; Parulek, Julius ; Hege, Hans-Christian: Visualization of Molecular Structure: State of the Art Revisited. In: Computer Graphics Forum, Computer Graphics Forum. (2016)
  12. Krone, Michael ; Kozlíková, Barbora ; Lindow, Norbert ; Baaden, Marc ; Baum, Daniel ; Parulek, Julius ; Hege, Hans-Christian ; Viola, Ivan: Visual Analysis of Biomolecular Cavities: State of the Art. In: Computer Graphics Forum, Computer Graphics Forum. Bd. 35, Whiley (2016), Nr. 3
  13. Kulschewski, Tobias ; Pleiss, Jürgen: Binding of solvent molecules to a protein surface in binary mixtures follows a competitive Langmuir model. In: Langmuir, Langmuir. (2016), Nr. 32
  14. Kuron, Michael ; Rempfer, Georg ; Schornbaum, Florian ; Bauer, Martin ; Godenschwager, Christian ; Holm, Christian ; de Graaf, Joost: Moving Charged Particles in Lattice Boltzmann-Based Electrokinetics. In: J. Chem. Phys, J. Chem. Phys. (2016)
  15. Kästner, Johannes ; Roy, Subhendu: Synergistic Substrate and Oxygen Activation in Salicylate Dioxygenase Revealed by QM/MM Simulations. In: Angewandte Chemie International Edition, Angewandte Chemie International Edition. Bd. 55 (2016), Nr. 3
  16. Lahnert, Michael ; Burstedde, Carsten ; Holm, Christian ; Mehl, Miriam ; Rempfer, Georg ; Weik, Florian: Towards Lattice-Boltzmann on Dynamically Adaptive Grids - Minimally-Invasive Grid Exchange in ESPResSo. In: Papadrakakis, M. (Hrsg) ; Papadopoulos, V. (Hrsg) ; Stefanou, G. (Hrsg) ; Plevris, V. (Hrsg) ; Papadrakakis, M. (Hrsg) ; Papadopoulos, V. (Hrsg) ; Stefanou, G. (Hrsg) ; Plevris, V. (Hrsg) (Hrsg.) ; Papadrakakis, M. (Hrsg) ; Papadopoulos, V. (Hrsg) ; Stefanou, G. (Hrsg) ; Plevris, V. (Hrsg) (Hrsg.): ECCOMAS Congress 2016, VII European Congress on Computational Methods in Applied Sciences and Engineering., ECCOMAS Congress 2016, VII European Congress on Computational Methods in Applied Sciences and Engineering. Bd. 2016, 2016
  17. Mwalongo, Finian ; Krone, Michael ; Reina, Guido ; Ertl, Thomas: State-of-the-Art Report in Web-based Visualization. In: Computer Graphics Forum, Computer Graphics Forum. Bd. 35, Whiley (2016b), Nr. 3
  18. Mwalongo, Finian ; Krone, Michael ; Becher, Michael ; Reina, Guido ; Ertl, Thomas: GPU-based Remote Visualization of Dynamic Molecular Data on the Web. In: Graphical Models, Graphical Models. Bd. 88, Elsevier (2016a)
  19. Müller, Christoph ; Krone, Michael ; Scharnowski, Katrin ; Reina, Guido ; Ertl, Thomas: An Evaluation of the Utility of Large High-Resolution Displays for Comparative Scientific Visualisation. In: International Journal of Software and Informatics, International Journal of Software and Informatics. Bd. 9 (2016), Nr. 3
  20. Rempfer, Georg ; Ehrhardt, Sascha ; Laohakunakorn, Nadanai ; Davies, Gary B. ; Keyser, Ulrich F. ; Holm, Christian ; de Graaf, Joost: Selective Trapping of DNA Using Glass Microcapillaries. In: Langmuir, Langmuir. Bd. 32 (2016c), Nr. 33
  21. Rempfer, Georg ; Ehrhardt, Sascha ; Holm, Christian ; de Graaf, Joost: Nanoparticle Translocation through Conical Nanopores: A Finite Element Study of Electrokinetic Transport. In: Macromolecular Theory and Simulations, Macromolecular Theory and Simulations. Bd. 25 (2016b)
  22. Rempfer, Georg ; Davies, Gary B. ; Holm, Christian ; de Graaf, Joost: Reducing spurious flow in simulations of electrokinetic phenomena. In: J. Chem. Phys., J. Chem. Phys. Bd. 145 (2016a), Nr. 44901
  23. Schatz, Karsten ; Müller, Christoph ; Krone, Michael ; Schneider, Jens ; Reina, Guido ; Ertl, Thomas: Interactive Visual Exploration of a Trillion Particles. In: IEEE ; IEEE (Hrsg.) ; IEEE (Hrsg.): Symposium on Large Data Analysis and Visualization (LDAV), Symposium on Large Data Analysis and Visualization (LDAV), 2016
  24. Schmauder, Siegfried ; Schäfer, I.: (Hrsg.): Multiscale Materials Modeling - Approaches to Full Multiscaling, Angewandte Chemie International Edition : Walter de Gruyter GmbH, 2016
  25. Sivaraman, Ganesh ; Amorim, Rodrigo G. ; Scheicher, Ralph H. ; Fyta, Maria: Diamondoid-functionalized gold nanogaps as sensors for natural, mutated, and epigenetically modified DNA nucleotides. In: Nanoscale, Nanoscale, 2016
  26. Zeil, Catharina ; Widmann, Michael ; Fademrecht, Silvia ; Vogel, Constantin ; Pleiss, Jürgen: Microdiversity of TEM β-lactamases: a network analysis of sequence-function relationships and exploration of sequence space. In: Antimicrob Agents Ch, Antimicrob Agents Ch. Bd. 2016 (2016), Nr. 60