Jens Smiatek: search on Z-Library

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1

Properties of Ion Complexes and Their Impact on Charge Transport in Organic Solvent-Based Electrolyte Solutions for Lithium Batteries: Insights from a Theoretical Perspective

Smiatek, Jens, Heuer, Andreas, Winter, Martin

Journal:

Year:

2018

Language:

english

File:

PDF, 1024 KB

english, 2018

2

Calculation of free energy landscapes: A histogram reweighted metadynamics approach

Jens Smiatek, Andreas Heuer

Journal:

Journal of Computational Chemistry

Year:

2011

Language:

english

File:

PDF, 594 KB

english, 2011

3

Towards a Digital Bioprocess Replica: Computational Approaches in Biopharmaceutical Development and Manufacturing

Smiatek, Jens, Jung, Alexander, Bluhmki, Erich

Journal:

Trends in Biotechnology

Year:

2020

File:

PDF, 1.63 MB

2020

4

Properties of compatible solutes in aqueous solution

Jens Smiatek, Rakesh Kumar Harishchandra, Oliver Rubner, Hans-Joachim Galla, Andreas Heuer

Journal:

Biophysical Chemistry

Year:

2012

Language:

english

File:

PDF, 856 KB

english, 2012

5

Lattice-Boltzmann simulations of the electrophoretic stretching of polyelectrolytes: The importance of hydrodynamic interactions

Hickey, Owen A., Holm, Christian, Smiatek, Jens

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 817 KB

english, 2014

6

A refined polarizable water model for the coarse-grained MARTINI force field with long-range electrostatic interactions

Michalowsky, Julian, Schäfer, Lars V., Holm, Christian, Smiatek, Jens

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 512 KB

english, 2017

7

Simulation of weak polyelectrolytes: a comparison between the constant pH and the reaction ensemble method

Landsgesell, Jonas, Holm, Christian, Smiatek, Jens

Journal:

The European Physical Journal Special Topics

Year:

2017

Language:

english

File:

PDF, 287 KB

english, 2017

8

Complex transitions between dihydrate and anhydrate forms of ectoine – unexpected behavior of a highly hygroscopic compatible solute in the solid state

Hützler, Wilhelm Maximilian, Mossou, Estelle, Vollrath, Ronnald, Kohagen, Miriam, El Ghrissi, Imadine, Grininger, Martin, Zaccai, Giuseppe, Smiatek, Jens, Oesterhelt, Dieter

Journal:

Year:

2020

Language:

english

File:

PDF, 1.40 MB

english, 2020

9

What Does Ectoine do to DNA? A Molecular-Scale Picture of Compatible Solute â Biopolymer Interactions

Wittmar, Julia, Meyer, Susann, Sieling, Thorben, Kunte, Hans-JÃ¶rg, Smiatek, Jens, Brand, Izabella

Journal:

Journal of Physical Chemistry B

Year:

2020

File:

PDF, 3.42 MB

2020

10

Mesoscopic simulations of electroosmotic flow and electrophoresis in nanochannels

Jens Smiatek, Friederike Schmid

Journal:

Computer Physics Communications

Year:

2011

Language:

english

File:

PDF, 276 KB

english, 2011

11

AFM-based Force Spectroscopy on Polystyrene Brushes: Effect of Brush Thickness on Protein Adsorption

Hentschel, Carsten, Wagner, Hendrik, Smiatek, Jens, Heuer, Andreas, Fuchs, Harald, Zhang, Xi, Studer, Armido, Chi, Lifeng

Journal:

Year:

2013

Language:

english

File:

PDF, 1.80 MB

english, 2013

12

A multi-model approach for improved simulations of future water availability at a large Eastern Mediterranean karst spring

Andreas Hartmann, Jens Lange, Àngela Vivó Aguado, Numan Mizyed, Gerhard Smiatek, Harald Kunstmann

Journal:

Journal of Hydrology

Year:

2012

Language:

english

File:

PDF, 1.15 MB

english, 2012

13

Polyelectrolyte Electrophoresis in Nanochannels: A Dissipative Particle Dynamics Simulation

Smiatek, Jens, Schmid, Friederike

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 215 KB

english, 2010

14

Osmolyte Effects: Impact on the Aqueous Solution around Charged and Neutral Spheres

Journal:

Journal of Physical Chemistry B

Year:

2014

Language:

english

File:

PDF, 557 KB

english, 2014

15

Low concentrated hydroxyectoine solutions in presence of DPPC lipid bilayers: A computer simulation study

Smiatek, Jens, Harishchandra, Rakesh Kumar, Galla, Hans-Joachim, Heuer, Andreas

Journal:

Biophysical Chemistry

Year:

2013

Language:

english

File:

PDF, 666 KB

english, 2013

16

Systematic detection of hidden complexities in the unfolding mechanism of a cytosine-rich DNA strand

Smiatek, Jens, Janssen-Müller, Daniel, Friedrich, Rudolf, Heuer, Andreas

Journal:

Physica A: Statistical Mechanics and its Applications

Year:

2014

Language:

english

File:

PDF, 930 KB

english, 2014

17

Layer-by-Layer Formation of Oligoelectrolyte Multilayers: A Combined Experimental and Computational Study

Micciulla, Samantha, Sánchez, Pedro A., Smiatek, Jens, Qiao, Baofu, Sega, Marcello, Laschewsky, André, Holm, Christian, von Klitzing, Regine

Journal:

Year:

2014

Language:

english

File:

PDF, 837 KB

english, 2014

18

Stable Conformations of a Single Stranded Deprotonated DNA i-Motif

Smiatek, Jens, Chen, Chun, Liu, Dongsheng, Heuer, Andreas

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 4.67 MB

english, 2011

19

Local Water Dynamics around Antifreeze Protein Residues in the Presence of Osmolytes: The Importance of Hydroxyl and Disaccharide Groups

Narayanan Krishnamoorthy, Anand, Holm, Christian, Smiatek, Jens

Journal:

Journal of Physical Chemistry B

Year:

2014

Language:

english

File:

PDF, 1.04 MB

english, 2014

20

Deprotonation mechanism of a single-stranded DNA i-motif

Smiatek, Jens, Heuer, Andreas

Journal:

Year:

2014

Language:

english

File:

PDF, 383 KB

english, 2014

21

Separation of Chiral Particles in Micro- or Nanofluidic Channels

Meinhardt, Sebastian, Smiatek, Jens, Eichhorn, Ralf, Schmid, Friederike

Journal:

Physical Review Letters

Year:

2012

Language:

english

File:

PDF, 493 KB

english, 2012

22

Mesoscopic simulations of the counterion-induced electro-osmotic flow: A comparative study

Smiatek, Jens, Sega, Marcello, Holm, Christian, Schiller, Ulf D., Schmid, Friederike

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 593 KB

english, 2009

23

Nudged-elastic band used to find reaction coordinates based on the free energy

Bohner, Matthias U., Zeman, Johannes, Smiatek, Jens, Arnold, Axel, Kästner, Johannes

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 716 KB

english, 2014

24

Solvent effects of 1-ethyl-3-methylimidazolium acetate: solvation and dynamic behavior of polar and apolar solutes

Lesch, Volker, Heuer, Andreas, Holm, Christian, Smiatek, Jens

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.41 MB

english, 2015

25

Proton Dissociation of Sulfonated Polysulfones: Influence of Molecular Structure and Conformation

Wohlfarth, Andreas, Smiatek, Jens, Kreuer, Klaus-Dieter, Takamuku, Shogo, Jannasch, Patric, Maier, Joachim

Journal:

Year:

2015

Language:

english

File:

PDF, 1.49 MB

english, 2015

26

Coat thickness dependent adsorption of hydrophobic molecules at polymer brushes

Smiatek, Jens, Heuer, Andreas, Wagner, Hendrik, Studer, Armido, Hentschel, Carsten, Chi, Lifeng

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 603 KB

english, 2013

27

Peptides in the presence of aqueous ionic liquids: tunable co-solutes as denaturants or protectants?

Lesch, Volker, Heuer, Andreas, Tatsis, Vasileios A., Holm, Christian, Smiatek, Jens

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.76 MB

english, 2015

28

The Influence of the Compatible Solute Ectoine on the Local Water Structure: Implications for the Binding of the Protein G5P to DNA

Hahn, Marc B., Solomun, Tihomir, Wellhausen, Robert, Hermann, Sabrina, Seitz, Harald, Meyer, Susann, Kunte, Hans-Jörg, Zeman, Johannes, Uhlig, Frank, Smiatek, Jens, Sturm, Heinz

Journal:

Journal of Physical Chemistry B

Year:

2015

Language:

english

File:

PDF, 491 KB

english, 2015

29

Properties of the polarizable MARTINI water model: A comparative study for aqueous electrolyte solutions

Vögele, Martin, Holm, Christian, Smiatek, Jens

Journal:

Journal of Molecular Liquids

Year:

2015

Language:

english

File:

PDF, 1.15 MB

english, 2015

30

Concentration dependent effects of urea binding to poly(N-isopropylacrylamide) brushes: a combined experimental and numerical study

Micciulla, Samantha, Michalowsky, Julian, Schroer, Martin A., Holm, Christian, von Klitzing, Regine, Smiatek, Jens

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 2.41 MB

english, 2016

31

Properties of Apolar Solutes in Alkyl Imidazolium-Based Ionic Liquids: The Importance of Local Interactions

Lesch, Volker, Heuer, Andreas, Holm, Christian, Smiatek, Jens

Journal:

Year:

2016

Language:

english

File:

PDF, 1.16 MB

english, 2016

32

Importance of Varying Permittivity on the Conductivity of Polyelectrolyte Solutions

Fahrenberger, Florian, Hickey, Owen A., Smiatek, Jens, Holm, Christian

Journal:

Physical Review Letters

Year:

2015

Language:

english

File:

PDF, 607 KB

english, 2015

33

Combined influence of ectoine and salt: spectroscopic and numerical evidence for compensating effects on aqueous solutions

Hahn, Marc Benjamin, Uhlig, Frank, Solomun, Tihomir, Smiatek, Jens, Sturm, Heinz

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 2.17 MB

english, 2016

34

Atomistic insights into deep eutectic electrolytes: the influence of urea on the electrolyte salt LiTFSI in view of electrochemical applications

Lesch, Volker, Heuer, Andreas, Rad, Babak R., Winter, Martin, Smiatek, Jens

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 2.27 MB

english, 2016

35

Stabilizing Effect of TMAO on Globular PNIPAM States: Preferential Attraction Induces Preferential Hydration

Schroer, Martin A., Michalowsky, Julian, Fischer, Birgit, Smiatek, Jens, Grübel, Gerhard

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 2.60 MB

english, 2016

36

Preferential solvation and ion association properties in aqueous dimethyl sulfoxide solutions

Krishnamoorthy, Anand Narayanan, Zeman, Johannes, Holm, Christian, Smiatek, Jens

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 3.58 MB

english, 2016

37

Coarse-grained simulations of polyelectrolyte complexes: MARTINI models for poly(styrene sulfonate) and poly(diallyldimethylammonium)

Vögele, Martin, Holm, Christian, Smiatek, Jens

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 542 KB

english, 2015

38

Wang–Landau Reaction Ensemble Method: Simulation of Weak Polyelectrolytes and General Acid–Base Reactions

Landsgesell, Jonas, Holm, Christian, Smiatek, Jens

Journal:

Journal of Chemical Theory and Computation

Year:

2017

Language:

english

File:

PDF, 2.01 MB

english, 2017

39

The influence of charged-induced variations in the local permittivity on the static and dynamic properties of polyelectrolyte solutions

Fahrenberger, Florian, Hickey, Owen A., Smiatek, Jens, Holm, Christian

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.49 MB

english, 2015

40

Aqueous ionic liquids and their effects on protein structures: an overview on recent theoretical and experimental results

Journal:

Journal of Physics Condensed Matter

Year:

2017

Language:

english

File:

PDF, 1.92 MB

english, 2017

41

The properties of residual water molecules in ionic liquids: a comparison between direct and inverse Kirkwood–Buff approaches

Kobayashi, Takeshi, Reid, Joshua E. S. J., Shimizu, Seishi, Fyta, Maria, Smiatek, Jens

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 7.45 MB

english, 2017

42

Aqueous Ionic Liquids and Their Influence on Peptide Conformations: Denaturation and Dehydration Mechanisms

Diddens, Diddo, Lesch, Volker, Heuer, Andreas, Smiatek, Jens

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 4.01 MB

english, 2017

43

The stretching force on a tethered polymer in pressure-driven flow

Szuttor, Kai, Roy, Tamal, Hardt, Steffen, Holm, Christian, Smiatek, Jens

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 1003 KB

english, 2017

44

Stretching of surface-tethered polymers in pressure-driven flow under confinement

Roy, Tamal, Szuttor, Kai, Smiatek, Jens, Holm, Christian, Hardt, Steffen

Journal:

Year:

2017

Language:

english

File:

PDF, 3.05 MB

english, 2017

45

Disentangling structural information from core-level excitation spectra

Niskanen, Johannes, Sahle, Christoph J., Gilmore, Keith, Uhlig, Frank, Smiatek, Jens, Föhlisch, Alexander

Journal:

Physical Review E

Year:

2017

Language:

english

File:

PDF, 1.71 MB

english, 2017

46

Electric-field-induced stretching of surface-tethered polyelectrolytes in a microchannel

Roy, Tamal, Szuttor, Kai, Smiatek, Jens, Holm, Christian, Hardt, Steffen

Journal:

Physical Review E

Year:

2017

Language:

english

File:

PDF, 793 KB

english, 2017

47

Vibrational states of nano-confined water molecules in beryl investigated by first principles calculations and optical experiments

Belyanchikov, Mikhail, Zhukova, Elena, Tretiak, Sergei, Zhugayevych, Andriy, Dressel, Martin, Uhlig, Frank, Smiatek, Jens, Fyta, Maria, Thomas, Victor G., Gorshunov, Boris

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 1.11 MB

english, 2017

48

Validation of Trimethylamine-N-Oxide (TMAO) Force Fields Based on Thermophysical Properties of Aqueous TMAO Solutions

Markthaler, Daniel, Zeman, Johannes, Baz, Jörg, Smiatek, Jens, Hansen, Niels

Journal:

Journal of Physical Chemistry B

Year:

2017

Language:

english

File:

PDF, 806 KB

english, 2017

49

A coarse-grained polarizable force field for the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate

Zeman, Johannes, Uhlig, Frank, Smiatek, Jens, Holm, Christian

Journal:

Journal of Physics Condensed Matter

Year:

2017

Language:

english

File:

PDF, 6.52 MB

english, 2017

50

First-principles parameterization of polarizable coarse-grained force fields for ionic liquids

Uhlig, Frank, Zeman, Johannes, Smiatek, Jens, Holm, Christian

Journal:

Journal of Chemical Theory and Computation

Year:

2018

Language:

english

File:

PDF, 1.40 MB

english, 2018