Publikationen von Christine Peter
Alle Typen
Zeitschriftenartikel (37)
2012
Zeitschriftenartikel
45 (5), S. 2551 - 2561 (2012)
A Chemically Accurate Implicit-Solvent Coarse-Grained Model for Polystyrenesulfonate Solutions. Macromolecules
Zeitschriftenartikel
116 (29), S. 8474 - 8484 (2012)
Derivation of Coarse Grained Models for Multiscale Simulation of Liquid Crystalline Phase Transitions. The Journal of Physical Chemistry B 2011
Zeitschriftenartikel
13 (17), S. 7604 - 7621 (2011)
Multiscale modelling of mesoscopic phenomena triggered by quantum events: light-driven azo-materials and beyond. Physical Chemistry Chemical Physics
Zeitschriftenartikel
20 (7), S. 451 - 465 (2011)
A Challenge for Peptide Coarse Graining: Transferability of Fragment-Based Models. Macromolecular Theory and Simulations
Zeitschriftenartikel
13 (22), S. 10437 - 10448 (2011)
Hybrid simulations: combining atomistic and coarse-grained force fields using virtual sites. Physical Chemistry Chemical Physics
Zeitschriftenartikel
7 (6), S. 1916 - 1927 (2011)
Transferability of Coarse Grained Potentials: Implicit Solvent Models for Hydrated Ions. Journal of Chemical Theory and Computation 2010
Zeitschriftenartikel
144, S. 9 - 24 (2010)
Multiscale simulation of soft matter systems. Faraday Discussions
Zeitschriftenartikel
6 (8), S. 2434 - 2444 (2010)
Transferability of Nonbonded Interaction Potentials for Coarse-Grained Simulations: Benzene in Water. Journal of Chemical Theory and Computation 2009
Zeitschriftenartikel
5 (22), S. 4357 - 4366 (2009)
Multiscale simulation of soft matter systems - from the atomistic to the coarse-grained level and back. Soft Matter
Zeitschriftenartikel
2 (25. Jahrgang), S. 14 - 17 (2009)
Rechnergestützte Forschung - Polymersimulationen / Multiskalensimulationen in der Materialwissenschaft. Forschungsmagazin der Johannes-Gutenberg-Universität Mainz
Zeitschriftenartikel
11 (12), S. 2077 - 2086 (2009)
Self-assembling dipeptides: conformational sampling in solvent-free coarse-grained simulation. Physical Chemistry Chemical Physics
Zeitschriftenartikel
11 (12), S. 2068 - 2076 (2009)
Self-assembling dipeptides: including solvent degrees of freedom in a coarse-grained model. Physical Chemistry Chemical Physics 2008
Zeitschriftenartikel
41 (6), S. 2283 - 2289 (2008)
Fast-growth thermodynamic integration: Calculating excess chemical Potentials of additive molecules in polymer microstructures. Macromolecules
Zeitschriftenartikel
41 (13), S. 5055 - 5061 (2008)
Modeling solubilities of additives in polymer micro structures: Single-step perturbation method based on a soft-cavity reference state. Macromolecules
Zeitschriftenartikel
4 (4), S. 859 - 869 (2008)
Classical simulations from the atomistic to the mesoscale and back: coarse graining an azobenzene liquid crystal. Soft Matter 2007
Zeitschriftenartikel
3 (5), S. 1789 - 1802 (2007)
Atomistic force field for azobenzene compounds adapted for QM/MM simulations with applications to liquids and liquid crystals. Journal of Chemical Theory and Computation
Zeitschriftenartikel
111 (27), S. 7836 - 7842 (2007)
Solvent reorganization contributions in solute transfer thermodynamics: Inferences from the solvent equation of state. The Journal of Physical Chemistry B Buchkapitel (3)
2014
Buchkapitel
Computational Studies of Biomembrane Systems: Theoretical Considerations, Simulation Models, and Applications. In: From Single Molecules to Nanoscopically Structured Materials, S. 237 - 283 (Hg. Basche, T.; Müllen, K.; Schmidt, M.). Springer International Publishing (2014)
2009
Buchkapitel
Soft Matter, Fundamentals and Coarse Graining Strategies. In: Multiscale Simulation Methods in Molecular Sciences, S. 337 - 358 (Hg. Grotendorst; J.; Attig; N.; Blügel et al.). Forschungszentrum Jülich, Jülich (2009)
2008
Buchkapitel
Structure-Based Coarse- and Fine-Graining in Soft Matter Simulations. In: Coarse-Graining of Condensed Phase and Biomolecular Systems, S. 379 - 398 (Hg. Voth, G. A.). CRC Press, Taylor and Francis Group (2008)