Difference between revisions of "Jonas Landsgesell"

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(Master Thesis)
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== Master Thesis ==
 
== Master Thesis ==
 
Titration of Weak Polyelectrolytes using the Wang-Landau and the Reaction Ensemble method.
 
Titration of Weak Polyelectrolytes using the Wang-Landau and the Reaction Ensemble method.
[[File:Free polymer titration curve from partition function different bjerrum lengths.eps|thumb]]
+
[[File:Free polymer titration curve from partition function different bjerrum lengths.eps.png|thumb|Titration curves at different Bjerrum lengths]]
  
 
== Bachelor Thesis ==
 
== Bachelor Thesis ==
[[File:Beta hairpin in water GROMACS.png|thumb]]
+
[[File:Beta hairpin in water GROMACS.png|thumb| Beta hairpin in water]]
 
Free energy decomposition methods are applied to investigate the entropic contributions of water to the folding of beta hairpins.
 
Free energy decomposition methods are applied to investigate the entropic contributions of water to the folding of beta hairpins.
  

Revision as of 13:41, 3 January 2017

Jonas Landsgesell
PhD student
Office:1.084
Fax:+49 711 685-63658
Email:jlandsgesell _at_ icp.uni-stuttgart.de
Address:Jonas Landsgesell
Institute for Computational Physics
Universität Stuttgart
Allmandring 3
70569 Stuttgart
Germany

Publications

  • Landsgesell, J.; Holm, C.; Smiatek, J.
Simulation of weak polyelectrolytes: A comparison between the constant pH and the reaction ensemble method.
Accepted for publication in Europ. Phys. J. Spec. Top. (2016)
  • Landsgesell, J.; Holm, C.; Smiatek, J.
The Wang-Landau Reaction Ensemble Method: Simulation of Weak Polyelectrolytes and General Acid-Base Reactions.
J. Chem. Theory Comput., DOI:10.1021/acs.jctc.6b00791 (2016)

Master Thesis

Titration of Weak Polyelectrolytes using the Wang-Landau and the Reaction Ensemble method.

Titration curves at different Bjerrum lengths

Bachelor Thesis

Beta hairpin in water

Free energy decomposition methods are applied to investigate the entropic contributions of water to the folding of beta hairpins.

Previous Activities