Difference between revisions of "Jens Smiatek"

From ICPWiki
Jump to navigation Jump to search
Line 43: Line 43:
== Publications ==
== Publications ==
My profile at [http://scholar.google.de/citations?user=-RgaRekAAAAJ "Scholar Google"]
My profile at [http://scholar.google.de/citations?user=-RgaRekAAAAJ "Scholar Google"]
:* Smiatek, J.; Hansen, N.; Kästner, J.
:: '''"Free energy calculation methods and rare event sampling techniques for bimolecular simulations"'''
::accepted for publication in ''Simulating Enzyme Reactivity'' (RSC Publishing) (2016)

Revision as of 11:22, 19 October 2016

Jens neu1.jpg
Dr. Jens Smiatek
Group leader
Phone:+49 711 685-63757
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

Research interests

  • Biomolecules and specific DNA structures: i-motif and g-quadruplex
  • Solvent effects
  • Free energy landscapes
  • Solvent-solute interactions
  • Osmolytes and co-solutes
  • Electrohydrodynamics
  • Polyelectrolytes and interactions with ions
  • Microscale flows
  • Method development

Curriculum Vitae

A detailed CV can be found here.


My profile at "Scholar Google"

Submitted Manuscripts

  • Ribeiro Tzaras, E.; Weik, F.; Holm, C.; Smiatek, J.
    Polymer translocation through thin nano pores: An unbiased perspective on free energy landscapes and essential dynamics, submitted (2016)
  • Smiatek, J.; Riedl, D.; Heuer, A.
    Statistical properties of soccer, basketball and handball - A quantitative comparison, submitted (2016)
  • Schroer, M. A.; Michalowsky, J.; Fischer, B.; Smiatek, J.; Grübel, G.
    Stabilizing Effect of TMAO on Globular PNIPAM States: Preferential Attraction Induces Preferential Hydration, submitted (2016)
  • Landsgesell, J.; Holm, C.; Smiatek, J.
    The Wang-Landau Reaction Ensemble Method: Simulation of Weak Polyelectrolytes and General Acid-Base Reactions, submitted (2016)
  • Nanarayanan Krishnamoorthy, A.; Zeman, J.; Holm, C.; Smiatek, J.
    Preferential solvation and ion association properties in aqueous dimethyl sulfoxide solutions, submitted (2016)
  • Michalowsky, J.; Schäfer, L. V.; Holm, C.; Smiatek, J.
    A refined polarizable water model for the coarse-grained MARTINI force field with long-range electrostatic interactions, submitted (2016)
  • Landsgesell, J.; Holm, C.; Smiatek, J.
    Simulation of weak polyelectrolytes: A comparison between the constant pH and the reaction ensemble method, submitted (2016)


  • Ab initio molecular dynamics simulations of ectoine in aqueous solution (together with Frank Uhlig)

  • DFT calculations of vibrational motion of ectoine in aqueous solution for Raman frequencies between 432 - 731 1/cm

  • Forward flux sampling simulations of polymer translocation through a nano pore (together with Evangelos Ribeiro Tzaras)

  • High temperature unfolding dynamics of a single-stranded deprotonated DNA i-motif