Difference between revisions of "Jens Smiatek"

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== 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 ==
 
== 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)
+
[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)
+
[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
+
[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)
+
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)
+
[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)
+
[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)
+
[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)
+
[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)
+
[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)
+
[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)
+
[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)
+
[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)
+
[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)
+
[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:
+
[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)
 
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)
+
[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)
+
[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,
 
[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)
 
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)
+
[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)

Revision as of 12:23, 5 July 2012

Jens neu.jpg
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)