Jens Smiatek

Dr. Jens Smiatek
Postdoc

Office:	203
Phone:	+49 711 685-63935
Fax:	+49 711 685-63658
Email:	smiatek _at_ icp.uni-stuttgart.de
Address:	Dr. Jens Smiatek Institute for Computational Physics Universität Stuttgart Allmandring 3 70569 Stuttgart Germany

Research interests

• Micro- and Nanoscale flow phenomena and boundary conditions (electrohydrodynamic effects,

structure formation, effects of confined geometries)

• Hydrodynamics (Effects of hydrodynamic interactions and hydrodynamic screening)

• Polyelectrolyte/Polymer/Colloidal Dynamics in dilute and dense solution and confined

geometries

• Coupling of electrostatic and hydrodynamic effects

• Properties of charged matter in presence of explicit ions

• Properties of polymer brushes (protein repellency, wettability)

• Driven systems under strong non-equilibrium conditions

• Flow characteristics around rotating micromotors (synchronization effects, hydrodynamic

interactions)

• Properties of solvent/solute interactions (hydrophobic and hydrodynamic

interactions)

• Characteristics of specific DNA structures like the DNA i-motif and the G-quadruplex

• General theory of molecular folding mechanisms (Hidden complexity, solvent properties,

free energy landscapes, rare events)

• Lipid bilayers: Interfacial behavior of water and interactions with compatible solutes

• Influence of osmolytes on proteins and membranes in aqueous solutions (structural

ordering of water, solubility)

• Thermodynamics, non-equilibrium effects, kinetics, general description of systems in the

the framework of statistical mechanics

• Method development (free energy landscapes, mesoscopic simulation methods,

microchannel boundary conditions)

• QM/MM simulations of osmolyte-solute interactions and cytosine-rich DNA strands

Publications

[1] Smiatek, J.; Harishchandra, R. K.; Galla, H.-J. and Heuer, A.: Compatible solutes and their effects on DPPC lipid bilayers: a computer simulation study, submitted to Biophysical Chemistry (2012)

[2] Smiatek, J. and Heuer, A.: A statistical view on team handball results: home advantage, team fitness and prediction of match outcomes, submitted to J. Quant. Anal. Sports (2012)

[3] Smiatek, J.; Wagner, H.; Hentschel C.; Chi, L.; Studer, A. and Heuer, A.: Coat thickness dependent protein adsorption at hydrophobic polymer brushes - a combined experimental and theoretical study, submitted to Macromolecules (2012)

[4] Hentschel, C.; Wagner, H.; Smiatek, J.; Heuer, A.; Fuchs, H.; Zhang, X.; Studer, A. and Chi, L.: AFM-based force spectroscopy on polystyrene brushes: Effect of brush thickness on protein adsorption, submitted to Langmuir (2012)

[5] Smiatek, J.; Janssen-Mueller, D.; Friedrich, R. and Heuer, A.: Hidden complexities in the unfolding mechanism of a cytosine-rich DNA strand, submitted to Physica A (2012)

[6] Smiatek, J.; Galla, H.-J. and Heuer, A.: Molecular Dynamics simulations of macromolecules in presence of compatible solutes, submitted to J. Phys. Chem. B. (2012)

[7] Meinhardt, S.; Smiatek, J.; Eichhorn, R. and Schmid, F.: Separation of chiral particles in micro- or nanofluidic channels, Phys. Rev. Lett. 108, 214504 (2012)

[8] Smiatek, J.; Harishchandra, R. K.; Rubner, O.; Galla, H.-J. and Heuer A.: Properties of compatible solutes in aqueous solution, Biophysical Chemistry 160, 62 (2012)

[9] Smiatek, J. and Schmid, F.: Mesoscopic simulation methods for studying flow and transport in electric fields in micro- and nanochannels, invited chapter for Advances in Microfluidics, edited by Ryan T. Kelly, InTech, DOI: 10.5772/2225 (2012)

[10] Smiatek, J.; Liu, D. and Heuer, A.: High temperature unfolding simulations of a single-stranded DNA i-motif, Curr. Phys. Chem. 2, 115 (2012)

[11] Smiatek, J.; Chen, C.; Liu, D. and Heuer, A.: Stable conformations of a single-stranded deprotonated DNA i-motif, J. Phys. Chem. B 115, 13788 (2011)

[12] Smiatek, J. and Schmid, F.: Mesoscopic simulations of electroosmotic flow and electrophoresis in nanochannels, Comp. Phys. Comm. 182, 1941 (2011)

[13] Smiatek, J. and Heuer, A.: Calculation of free energy landscapes: a histogram reweighted metadynamics approach, J. Comp. Chem. 32, 2084 (2011)

[14] Smiatek, J. and Schmid F.: Mesoscopic simulations of polyelectrolyte electrophoresis in nanochannels, p. 53 in High Performance Computing in Science and Engineering '10: Transactions of the High Performance Computing Center, edited by Nagel, W. E.; Kröner, D. B.; Resch, M. M.; Springer, Berlin Heidelberg (2011)

[15] Smiatek, J. and Schmid, F.: Polyelectrolyte electrophoresis in nanochannels: a Dissipative Particle Dynamics simulation, J. Phys. Chem. B 114, 6266 (2010)

[16] Smiatek, J.; Sega, M.; Schiller, U. D.; Holm, C. and Schmid, F.: Mesoscopic simulations of the counterion-induced electro-osmotic flow: A comparative study, J. Chem. Phys. 130, 244702 (2009)

[17] Smiatek J.: Mesoscopic simulations of electrohydrodynamic phenomena, PhD thesis, available at http://bieson.ub.uni-bielefeld.de/volltexte/2009/1475/pdf/Diss.pdf, Bielefeld University, Germany (2009)

[18] Smiatek, J.; Allen, M. P. and Schmid, F.: Tunable-slip boundaries for coarse-grained simulations of fluid flow, Europ. Phys. J. E 26, 115 (2008)