Publications

Georg Rempfer, Gary B. Davies, Christian Holm, und Joost de Graaf. Reducing spurious flow in simulations of electrokinetic phenomena. J. Chem. Phys., (145)449012016. [PUMA: visus:holmcn sfb716 sfb716-c vis(us) from:mueller visus:rempfegg sfb716-c5 2016] URL

Tobias Kulschewski, und Jürgen Pleiss. Binding of solvent molecules to a protein surface in binary mixtures follows a competitive Langmuir model. Langmuir, 322016. [PUMA: sfb716 sfb716-c1 sfb716-c visus:pleissjn visus:kulschts vis(us) from:mueller 2016] URL

Sebastian Grottel, Guido Reina, Michael Krone, Christoph Müller, und Thomas Ertl. MegaMol - for Fun and Profit. Workshop on Visualization in Practice, 2016. [PUMA: 2016 from:mueller sfb716-d3 sfb716-d4 sfb716-d4-ertl vis(us) vis-ertl vis-gis visus visus:ertl visus:grottel visus:kroneml visus:mueller visus:reina]

Svetlana E. Kulkova, Alexander V. Bakulin, S. S. Kulkov, Stephen Hocker, und Siegfried Schmauder. Influence of interstitial impurities on the Griffith work in Ti-based alloys. Physica Scripta, (90)940102015. [PUMA: sfb716-b2 sfb716 visus:hockersn visus:schmausd vis(us) sfb716-b 2015 from:mueller] URL

Alexander V. Bakulin, T. I. Spiridonova, Svetlana E. Kulkova, Stephen Hocker, und Siegfried Schmauder. Hydrogen diffusion in doped and undoped alpha-Ti: An ab-initio investigation. International Journal of Hydrogen Energy, (41)2016. [PUMA: sfb716-b2 sfb716 visus:hockersn visus:schmausd vis(us) sfb716-b from:mueller 2016] URL

Stephen Hocker, Martin Hummel, Peter Binkele, Hansjörg Lipp, und Siegfried Schmauder. Molecular dynamics simulations of tensile tests of Ni- Cu- Mg- and Ti-alloyed aluminium nanopolycrystals. Computational Materials Science, (116)2016. [PUMA: sfb716-b2 visus:hummelmn sfb716 visus:hockersn visus:schmausd vis(us) sfb716-b from:mueller 2016 visus:binkelpr] URL

Gernot Bauer, Alexander Lange, Nadezhda Gribova, Christian Holm, und Joachim Groß. Three-body effects in triplets of capped gold nanocrystals. Molecular Physics, 2016. [PUMA: visus:holmcn sfb716 sfb716-a vis(us) from:mueller visus:gribovna visus:bauergt sfb716-a7 2016 visus:grossjm] URL

Alexander Lange, Fabian Danecker, Gernot Bauer, Nadezhda Gribova, und Joachim Groß. Different ways of looking at the force between two nanocrystals. The Journal of Chemical Physics, (143)242015. [PUMA: sfb716 sfb716-a vis(us) 2015 from:mueller visus:gribovna visus:bauergt sfb716-a7 visus:grossjm] URL

Gernot Bauer, Alexander Lange, Nadezhda Gribova, Christian Holm, und Joachim Groß. Effective potentials between gold nano crystals–functional dependence on temperature. Molecular Simulation, (41)142015. [PUMA: visus:holmcn sfb716 sfb716-a vis(us) 2015 from:mueller visus:gribovna visus:bauergt sfb716-a7 visus:grossjm] URL

Manuel Hirschler, W. Säckel, und Ulrich Nieken. On Maxwell–Stefan diffusion in Smoothed Particle Hydrodynamics. International Journal of Heat and Mass Transfer, (103)2016. [PUMA: visus:hirschml sfb716 visus:niekenuh sfb716-a vis(us) sfb716-a6 from:mueller 2016] URL

Karsten Schatz, Christoph Müller, Michael Krone, Jens Schneider, Guido Reina, und Thomas Ertl. Interactive Visual Exploration of a Trillion Particles. In IEEE (Hrsg.), Symposium on Large Data Analysis and Visualization (LDAV), 2016. [PUMA: visus vis-ertl visus:mueller visus:reina sfb716-d3 visus:kroneml vis(us) visus:ertl from:mueller 2016 visus:schatzkn vis-gis] URL

Michael Lahnert, Carsten Burstedde, Christian Holm, Miriam Mehl, Georg Rempfer, und Florian Weik. Towards Lattice-Boltzmann on Dynamically Adaptive Grids - Minimally-Invasive Grid Exchange in ESPResSo. In M. (Hrsg) Papadrakakis, V. (Hrsg) Papadopoulos, G. (Hrsg) Stefanou, und V. (Hrsg) Plevris (Hrsg.), ECCOMAS Congress 2016, VII European Congress on Computational Methods in Applied Sciences and Engineering., (2016)32016. [PUMA: visus:mehlmm visus:holmcn sfb716-c visus:lahnerml sfb716-d visus:rempfegg sfb716-d8 sfb716-c5 visus:weikfn sfb716 vis(us) from:mueller 2016]

Michael Krone, Florian Frieß, Katrin Scharnowski, Guido Reina, Silvia Fademrecht, Tobias Kulschewski, Jürgen Pleiss, und Thomas Ertl. Molecular Surface Maps. IEEE Transactions on Visualization and Computer Graphics (Proceedings of the Scientific Visualization 2016), (23)12017. [PUMA: 2017 biovis from:mueller sfb716-c1 sfb716-d3 sfb716-d4 sfb716-d4-ertl sfb716-d4-pleiss sfbtrr161 vis(us) vis-ertl vis-gis visus visus:ertl visus:friessfn visus:kroneml visus:pleissjn visus:reina visus:scharnkn] URL

Michael Krone. Interactive Visual Analysis of Biomolecular Simulations. 2015. [PUMA: sfb716-d4-ertl visus visus:kroneml vis(us) 2015 from:mueller vis-ertl biovis] URL

Finian Mwalongo, Michael Krone, Michael Becher, Guido Reina, und Thomas Ertl. GPU-based Remote Visualization of Dynamic Molecular Data on the Web. Graphical Models, (88)Elsevier, 2016. [PUMA: visus visus:mwalonfn vis-ertl sfb716-d4-ertl visus:reina sfb716-d3 visus:kroneml vis(us) visus:ertl from:mueller 2016 vis-gis biovis] URL

Finian Mwalongo, Michael Krone, Guido Reina, und Thomas Ertl. State-of-the-Art Report in Web-based Visualization. Computer Graphics Forum, (35)3Whiley, 2016. [PUMA: visus visus:mwalonfn vis-ertl sfb716-d4-ertl visus:reina sfb716-d3 visus:kroneml vis(us) visus:ertl from:mueller 2016 vis-gis] URL

Michael Krone, Barbora Kozlíková, Norbert Lindow, Marc Baaden, Daniel Baum, Julius Parulek, Hans-Christian Hege, und Ivan Viola. Visual Analysis of Biomolecular Cavities: State of the Art. Computer Graphics Forum, (35)3Whiley, 2016. [PUMA: bioinformatik visus vis-ertl sfb716-d4-ertl visus:kroneml vis(us) from:mueller 2016 biovis] URL

Jürgen Pleiss. Systematic analysis of large enzyme families: identification of specificity- and selectivity-determining hotspots. ChemCatChem, (6)2014. [PUMA: sfb716 sfb716-c1 sfb716-c visus:pleissjn vis(us) from:mueller 2014] URL

Marina Lotti, Jürgen Pleiss, Francisco Valero, und Pau Ferrer. Effects of methanol on lipases: molecular, kinetic and process issues in the production of biodiesel. Biotechnol J, (10)2014. [PUMA: sfb716 sfb716-c1 sfb716-c visus:pleissjn vis(us) from:mueller 2014] URL

Aaron Taudt, Axel Arnold, und Jürgen Pleiss. Simulation of protein association - Kinetic pathways towards crystal contacts. Phys Rev E, (2015)912015. [PUMA: visus:arnoldal sfb716 sfb716-c1 sfb716-c visus:pleissjn vis(us) 2015 from:mueller] URL