Jens Smiatek

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Dr. Jens Smiatek
Group leader
Fax:+49 711 685-63658
Email:smiatek _at_
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.

Journal Covers

A recently published journal cover by us is shown below.

Cover for Batteries, Volume 4 (2018). More information can be found here.


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

  • Smiatek, J.
Enthalpic Contributions to Solvent-Solute and Solvent-Ion Interactions: Electronic Perturbation as Key to the Understanding of Molecular Attraction.
J. Chem. Phys. 150 (174112), 2019.
DOI: 10.1063/1.5092567
  • Nandy, A.; Smiatek, J.
Mixtures of LiTFSI and Urea: Ideal Thermodynamic Behavior as Key to the Formation of Deep Eutectic Solvents?
Phys. Chem. Chem. Phys. 21 (12279-12287), 2019.
  • Kobayashi, T.; Kemna, A.; Fyta, M.; Braunschweig, B.; Smiatek, J.
Aqueous Mixtures of Room-Temperature Ionic Liquids: Entropy-Driven Accumulation of Water Molecules at Interfaces.
J. Phys. Chem. C 123 (13795-13803), 2019.
DOI: 10.1021/acs.jpcc.9b04098
  • Oprzeska-Zingrebe, E. A.; Smiatek, J.
Aqueous Mixtures of Urea and Trimethylamine-N-oxide: Evidence for Kosmotropic or Chaotropic Behavior?
J. Phys. Chem. B 123 (4415-4424), 2019.
DOI: 10.1021/acs.jpcb.9b02598
  • Jia, H.; Billmann, B.; Onishi, H.; Smiatek, J.; Roser, S.; Wiemers-Meyer, S.; Wagner, R.; Winter, M.; Cekic-Laskovic, I.
LiPF6 stabilizer and transition metal cation scavenger: a bi-functional bipyridine-based ligand for lithium ion batteries application.
Chem. Mater. 31 (4025-4033), 2019.
DOI: 10.1021/acs.chemmater.9b00555
  • von Aspern, N.; Diddens, D..; Kobayashi, T.; Börner, M.; Stubbmann-Kazakova, O.; Kozel, V.; Röschenthaler, G.-V.; Smiatek, J.; Winter, M.; Cekic-Laskovic, I.
Fluorinated Cyclic Phosphorus(III)-based Electrolyte Additives for High-Voltage Application in Lithium Ion Batteries: Impact of Structure-Reactivity Relationships on CEI Formation and Cell Performance.
ACS Appl. Mater. Interfaces 11 (16605-16618), 2019.
DOI: 10.1021/acsami.9b0335
  • Kohagen, M.; Uhlig, F.; Smiatek, J.
On the nature of ion-stabilized cytosine pairs in DNA i-motifs: the importance of charge transfer processes.
Int. J. Quant. Chem. 119 (e25933), 2019.
  • Oprzeska-Zingrebe, E. A.; Kohagen, M.; Kästner, J.; Smiatek, J.
Unfolding of DNA by co-solutes: insights from Kirkwood-Buff integrals and transfer free energies.
Europ. Phys. J. Spec. Top. 227 (1665-1679), 2019.
  • Roy, T.; Szuttor, K.; Smiatek, J.; Holm, C.; Hardt, S.
Conformation and dynamics of long-chain end-tethered polymers in micro channels.
Polymers 11 (488), 2019.
DOI: 10.3390/polym11030488
  • Smiatek, J.; Heuer, A.; Winter, M.
Properties of ion complexes and their impact on charge transport in organic solvent-based electrolyte solutions for lithium batteries: insights from a theoretical perspective.
Batteries 4 (62), 2018.
DOI: 10.3390/batteries4040062
  • Oprzeska-Zingrebe, E. A.; Meyer, S.; Rohloff, A.; Kunte, H.-J.; Smiatek, J.
Influence of compatible solute ectoine on distinct DNA structures: thermodynamic insights into molecular binding mechanisms and destabilization effects.
Phys. Chem. Chem. Phys. 20 (25861-25874), 2018.
DOI: 10.1039/C8CP03543A
  • 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.
Phys. Chem. Chem. Phys. 20 (25701-25715), 2018.
DOI: 10.1039/C8CP04102D
  • 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 14 (6243-6255), 2018.
DOI: 10.1039/C8SM00600H
  • Hartmann, J. J.; Roy, T; Szuttor, K.; Smiatek, J.; Holm, C.; Hardt, S.
Relaxation of surface-tethered polymers under moderate confinement.
Soft Matter 14 (7926-7933), 2018.
DOI: 10.1039/C8SM00600H
  • Michalowsky, J.; Zeman, J.; Holm, C.; Smiatek, J.
A polarizable MARTINI model for monovalent ions in aqueous solution.
J. Chem. Phys. 149 (163319), 2018.
DOI: 10.1063/1.5028354
  • Smiatek, J.; Holm C. (2018)
From the Atomistic to the Macromolecular Scale: Distinct Simulation Approaches for Polyelectrolyte Solutions.
In: Andreoni W., Yip S. (eds.) Handbook of Materials 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.
  • 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)

  • Otero-Mato, J. M.; Montes Campos, H.; Lesch, V.; Smiatek, J.; Diddens, D.; Cabeza, O.; Gallego, L. J.; Varela, L. M.
Solvation in Ionic Liquid-Water mixtures: A Computational Study, submitted (2019)
  • Oldiges, K.; Michalowsky, J.; Grünebaum, M.; von Astern, N.; Cekic-Laskovic, I.; Smiatek, J.; Winter, M.; Prunklaus, G.
Tetrahydrothiophene 1-Oxide as Highly Effective Co-Solvent for Propylene Carbonate-Based Electrolytes, submitted (2019)