Florian Dommert

As Florian Dommert is not a member of our working group anymore, the information on this page might be outdated.

Florian Dommert
Postdoc

Office:	1.039
Phone:	+49 711 685-63613
Fax:	+49 711 685-63658
Email:	dommert _at_ icp.uni-stuttgart.de
Address:	Florian Dommert Institute for Computational Physics Universität Stuttgart Allmandring 3 70569 Stuttgart Germany

Publications

Florian Dommert, Christian Holm.
Refining classical force fields for ionic liquids: theory and application to [MMIm][Cl].
Physical Chemistry Chemical Physics 15(6):2037–2049, 2013.
[PDF] (3.9 MB) [DOI]

Katharina Wendler, Florian Dommert, Yuan Yuan Zhao, Robert Berger, Christian Holm, Luigi Delle Site.
Ionic liquids studied across different scales: A computational perspective.
Faraday Discussions 154:111–132, 2012.
[PDF] (493 KB) [DOI]
Florian Dommert, Katharina Wendler, Robert Berger, Luigi Delle Site, Christian Holm.
Force Fields for Studying the Structure and Dynamics of Ionic Liquids: A Critical Review of Recent Developments.
ChemPhysChem 13(7):1625–1637, 2012.
[PDF] (691 KB) [DOI]

Katharina Wendler, Stefan Zahn, Florian Dommert, Robert Berger, Christian Holm, Barbara Kirchner, Luigi Delle Site.
Locality and Fluctuations: Trends in Imidazolium-Based Ionic Liquids and Beyond.
Journal of Chemical Theory and Computation 7(10):3040–3044, 2011.
[PDF] (1.0 MB) [DOI]

Han Wang, Florian Dommert, Christian Holm.
Optimizing working parameters of the smooth particle mesh Ewald algorithm in terms of accuracy and efficiency.
The Journal of Chemical Physics 133(3):034117, 2010.
[PDF] (281 KB) [DOI]
Jochen Schmidt, Christian Krekeler, Florian Dommert, Yuanyuan Zhao, Robert Berger, Luigi Delle Site, Christian Holm.
Ionic Charge Reduction and Atomic Partial Charges from First-Principles Calculations of 1,3-Dimethylimidazolium Chloride.
The Journal of Physical Chemistry B 114(18):6150–6155, 2010.
[PDF] (345 KB) [DOI]
Christian Krekeler, Florian Dommert, Jochen Schmidt, Yuan Yuan Zhao, Christian Holm, Robert Berger, Luigi Delle Site.
Electrostatic properties of liquid 1,3-dimethylimidazolium chloride: role of local polarization and effect of the bulk.
Physical Chemistry Chemical Physics 12(8):1817–1821, 2010.
[PDF] (822 KB) [DOI]
Florian Dommert, Jochen Schmidt, Christian Krekeler, Yuan Yuan Zhao, Robert Berger, Luigi Delle Site, Christian Holm.
Towards multiscale modeling of ionic liquids: From electronic structure to bulk properties.
Journal of Molecular Liquids 152:2–8, 2010.
[PDF] (990 KB) [DOI]

Florian Dommert, Jochen Schmidt, Baofu Qiao, Yuanyuan Zhao, Christian Krekeler, Luigi Delle Site, Robert Berger, Christian Holm.
A comparative study of two classical force fields on statics and dynamics of [EMIM][BF₄] investigated via molecular dynamics simulations.
The Journal of Chemical Physics 129(22):224501, 2008.
[PDF] (642 KB) [DOI]

The Unfolding Pathway of Ubiquitin in Various Chemical Environments (5.31 MB), Diploma Thesis, 2007, Ludwigs-Maximilians-Universität München