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Showing results 1 to 18 of 18
Issue DateTitleAuthor(s)
2019Analysis and extension of Wertheim's thermodynamic perturbation theoryZmpitas, Wasilios
2023Atomistic simulation of fluid structure and diffusion in functionalized mesoporous silicaKraus, Hamzeh
2018Berechnung von Grenzflächeneigenschaften mithilfe der klassischen Dichtefunktionaltheorie mit einem Funktional auf Grundlage der PCP-SAFT ZustandsgleichungKlink, Christoph
2021Biomolecular force fields probed by free energies of binding and solvationGebhardt, Julia
2020Calculation of pure substance and mixture viscosities using PCP-SAFT and entropy scalingLötgering-Lin, Oliver
2022Correlating and predicting thermal conductivity and self-diffusion from entropy scaling using PCP-SAFTHopp, Madlen
2019Development of a polarizable transferable force field for vapor-liquid equilibria calculationsWaibel, Christian
2021Development of hydrodynamic density functional theory for mixtures and application to droplet coalescenceStierle, Rolf
2020Disentangling force field and sampling issues in biomolecular systemsMarkthaler, Daniel
2022Dynamic properties of fluids from molecular simulations and entropy scalingFischer, Matthias
2019Entwicklung eines übertragbaren Kraftfeldes (TAMie) für Phasengleichgewichte mit Monte Carlo Simulationen im großkanonischen EnsembleHemmen, Andrea
2021Interfacial properties using classical density functional theory : curved interfaces and surfactantsRehner, Philipp
2020Molecular dynamics study of interactions between nano crystals and solid-liquid phase equilibriaBauer, Gernot
2021A new approach to optimize the transferable anisotropic Mie force field (TAMie) for mixturesWeidler, Dominik
2019A new dispersion contribution based on the PCP-SAFT equation of state in the framework of classical density functional theorySauer, Elmar
2020On the prediction of thermodynamic properties by atomistic simulation : from vapor-liquid equilibrium of alcohols to self-assembly in mixed solventsBaz, Jörg
2023PC-SAFT density functional theory in 3 dimensions : adsorption in ordered porous media and solvation free energies in non-polar solventsEller, Johannes
2021Perturbation theory and molecular simulation of nonprimitive model electrolyte solutionsDrunsel, Florian