Difference between revisions of "Jens Smiatek"

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(Publications)
(Publications)
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:*Krishnamoorthy, A. N.; Holm, C.; Smiatek, J.
 
:*Krishnamoorthy, A. N.; Holm, C.; Smiatek, J.
 
:: '''Specific ion effects for polyelectrolytes in aqueous and non-aqueous media: the importance of the ion solvation behavior.'''
 
:: '''Specific ion effects for polyelectrolytes in aqueous and non-aqueous media: the importance of the ion solvation behavior.'''
::accepted for publication in ''Soft Matter'',  (2018).
+
:: ''Soft Matter'',  DOI: 10.1039/C8SM00600H, (2018).
 
:* Michalowsky, J.; Zeman, J.; Holm, C.; Smiatek, J.
 
:* Michalowsky, J.; Zeman, J.; Holm, C.; Smiatek, J.
 
::'''A polarizable MARTINI model for monovalent ions in aqueous solution.'''  
 
::'''A polarizable MARTINI model for monovalent ions in aqueous solution.'''  

Revision as of 05:42, 2 July 2018

Smiatek DNA1.jpg
Dr. Jens Smiatek
Group leader
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

  • 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.

Publications

My profile at "Scholar Google" or follow me on "ResearchGate".

  • Krishnamoorthy, A. N.; Holm, C.; Smiatek, J.
Specific ion effects for polyelectrolytes in aqueous and non-aqueous media: the importance of the ion solvation behavior.
Soft Matter, DOI: 10.1039/C8SM00600H, (2018).
  • Michalowsky, J.; Zeman, J.; Holm, C.; Smiatek, J.
A polarizable MARTINI model for monovalent ions in aqueous solution.
accepted for publication in J. Chem. Phys., (2018).
  • Smiatek, J.; Holm, C.
From the atomistic to the macromolecular scale: distinct simulation approaches for polyelectrolyte solutions.
accepted for publication in Handbook of Materials Modeling. Volume 1 Methods: Theory and Modeling, Springer Press, 2018.
  • Krishnamoorthy, A. N.; Holm, C.; Smiatek, J.
The influence of co-solutes on the chemical equilibrium - a Kirkwood-Buff theory for ion pair association-dissociation processes in ternary electrolyte solutions.
J. Phys. Chem. C 122 (10293-10392), 2018.
DOI: 10.1021/acs.jpcc.7b12255
  • Oprzeska-Zingrebe, E. A.; Smiatek, J.
Aqueous ionic liquids in comparison with standard co-solutes - Differences and common principles in their interaction with protein and DNA structures.
Biophys. Rev. 10 (809-824), 2018.
DOI: 10.1007/s12551-018-0414-7 DOI:10.1007/s12551-018-0414-7
  • Oprzeska-Zingrebe, E. A.; Smiatek, J.
Preferential binding of urea to single-stranded DNA structures: a molecular dynamics study.
Biophys. J. 114 (1551-1562), 2018.
DOI:10.1016/j.bpj.2018.02.013
  • Weyman, A.: Bier, M.; Holm, C.; Smiatek, J.
Microphase separation and the formation of ion conductivity channels in poly(ionic liquid)s: a coarse-grained molecular dynamics study.
J. Chem. Phys. 148 (193824), 2018.
DOI: 10.1063/1.5016814
  • Markthaler, D.; Zeman, J.; Baz, J.; Smiatek, J.; Hansen, N.
Validation of Trimethylamine-N-Oxide (TMAO) Force Fields Based on Thermophysical Properties of Aqueous TMAO Solutions.
J. Phys. Chem. B 121 (10674-10688), 2017.
DOI: 10.1021/acs.jpcb.7b07774
  • Belyanchikov, M. A.; Zhukov, E. S.; Tertia, S.; Zhugayevych, A.; Dressel, M.; Uhlig, F.; Smiatek, J.; Fyta, M.; Thomas, V. G.; Gorshunov, B. P.
Vibrational states of nano-confined water molecules in beryl based on first principles calculations and optical experiments.
Phys. Chem. Chem. Phys. 19 (30740-30748), 2017.
DOI: 10.1039/C7CP06472A


Submitted Manuscripts (all available on request)

  • Krishnamoorthy, A. N.; Oldiges, K.; Winter, M.; Heuer, A.; Cekic-Laskovic, I.; Holm, C.; Smiatek, J.
Electrolyte solvents for high voltage lithium ion batteries: ion correlation and specific anion effects in adiponitrile, submitted (2018)
  • Hartmann, J. J.; Roy, T; Szuttor, K.; Smiatek, J.; Holm, C.; Hardt, S.
Relaxation of surface-tethered polymers under moderate confinement, submitted (2018)
  • Oprzeska-Zingrebe, E. A.; Meyer, S.; Kunte, H.-J.; Smiatek, J.
Influence of compatible solute ectoine on distinct DNA structures: insights into molecular binding mechanisms and destabilization effects, submitted (2018)
  • Kohagen, M.; Uhlig, F.; Smiatek, J.
On the nature of cytosine pairing in DNA structures, submitted (2018)