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Showing results 1 to 18 of 18

Issue Date	Title	Author(s)
2019	Analysis and extension of Wertheim's thermodynamic perturbation theory	Zmpitas, Wasilios
2023	Atomistic simulation of fluid structure and diffusion in functionalized mesoporous silica	Kraus, Hamzeh
2018	Berechnung von Grenzflächeneigenschaften mithilfe der klassischen Dichtefunktionaltheorie mit einem Funktional auf Grundlage der PCP-SAFT Zustandsgleichung	Klink, Christoph
2021	Biomolecular force fields probed by free energies of binding and solvation	Gebhardt, Julia
2020	Calculation of pure substance and mixture viscosities using PCP-SAFT and entropy scaling	Lötgering-Lin, Oliver
2022	Correlating and predicting thermal conductivity and self-diffusion from entropy scaling using PCP-SAFT	Hopp, Madlen
2019	Development of a polarizable transferable force field for vapor-liquid equilibria calculations	Waibel, Christian
2021	Development of hydrodynamic density functional theory for mixtures and application to droplet coalescence	Stierle, Rolf
2020	Disentangling force field and sampling issues in biomolecular systems	Markthaler, Daniel
2022	Dynamic properties of fluids from molecular simulations and entropy scaling	Fischer, Matthias
2019	Entwicklung eines übertragbaren Kraftfeldes (TAMie) für Phasengleichgewichte mit Monte Carlo Simulationen im großkanonischen Ensemble	Hemmen, Andrea
2021	Interfacial properties using classical density functional theory : curved interfaces and surfactants	Rehner, Philipp
2020	Molecular dynamics study of interactions between nano crystals and solid-liquid phase equilibria	Bauer, Gernot
2021	A new approach to optimize the transferable anisotropic Mie force field (TAMie) for mixtures	Weidler, Dominik
2019	A new dispersion contribution based on the PCP-SAFT equation of state in the framework of classical density functional theory	Sauer, Elmar
2020	On the prediction of thermodynamic properties by atomistic simulation : from vapor-liquid equilibrium of alcohols to self-assembly in mixed solvents	Baz, Jörg
2023	PC-SAFT density functional theory in 3 dimensions : adsorption in ordered porous media and solvation free energies in non-polar solvents	Eller, Johannes
2021	Perturbation theory and molecular simulation of nonprimitive model electrolyte solutions	Drunsel, Florian

Showing results 1 to 18 of 18