Difference between revisions of "Jonas Landsgesell"
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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 14:41, 3 January 2017
Jonas Landsgesell
PhD student
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.
Bachelor Thesis
Free energy decomposition methods are applied to investigate the entropic contributions of water to the folding of beta hairpins.
Previous Activities
- VMD plugin for displaying h5md files
- File:Remark on partial derivatives.pdf