Kontakt
Pfaffenwaldring 9
70569 Stuttgart
Deutschland
Raum: 0.353
Fachgebiet
Molekularsimulation: Freie Energie Berechnungen
Artikel
- J. Gebhardt, C. Kleist, S. Jakobtorweihen, N. Hansen: Validation and comparison of force fields for native cyclodextrins in aqueous solution, J. Phys. Chem. B (2018)
- J. Gebhardt, N. Hansen: Calculation of binding affinities for linear alcohols to alpha-cyclodextrin by twin-system enveloping distribution sampling simulations, Fluid Phase Equilibria 422, 1-17 (2016)
Vorträge
- J. Gebhardt, D. Markthaler, N. Hansen: Validation of biomolecular force fields regarding structural and thermodynamic properties of cyclodextrins and their complexes, AIChE Annual Meeting, Minneapolis (2017)
- J. Gebhardt, N. Hansen: Validierung verschiedener biomolekularer Kraftfelder anhand von strukturellen sowie thermodynamischen Eigenschaften von Cyclodextrinen und ihren Komplexen mit linearen Alkoholen, Thermodynamik-Kolloquium, Kaiserslautern (2016)
Poster
- J. Gebhardt, N. Hansen: Prediction of activity coefficients for solvent mixtures from molecular dynamics simulations, Liblice Conference on the Statistical Mechanics of Liquids, Srni - Czech Republic (2018)
- J. Gebhardt, N. Hansen: Calculation of activity coefficients for different solvent mixtures from MD simulations , Thermodynamik-Kolloquium, Dresden (2017)
- J. Gebhardt, N. Hansen: Validation and comparison of biomolecular force fields regarding structural properties and binding affinities of cyclodextrins, SAFT Conference, Heidelberg (2017)
- J. Gebhardt, N. Hansen: Influence of the solvent water on structure and complexation of α-cyclodextrin studied by means of molecular dynamics simulations, Bunsentagung, Bochum (2015)
- J. Gebhardt, N. Hansen: Force field validation for the simulation of inclusion complexes of linear alcohols with alpha-cyclodextrin, International Workshop on Molecular Modeling and Simulation, Frankfurt (2015)
- Thermische Verfahrenstechnik II (SS 18)
- Verfahrenstechnik II für Technische Biologen (WS 17/18)
- Technische Thermodynamik II (SS 17)
- Technische Thermodynamik I (WS 16/17)
- Molekulare Thermodynamik (SS 16)
- Molekularsimulation (WS 15/16)
- Thermische Verfahrenstechnik I (SS 15)
- 10/2008 - 10/2014: Studium der Verfahrenstechnik an der Universität Stuttgart, Abschluss: M.Sc.
- Seit 11/2014: Wissenschaftliche Mitarbeiterin am ITT