Song, B.: Variationally enhanced sampling with permutationally invariant collective variables. Dissertation, Johannes Gutenberg-Universität, Mainz (2022)

Stieffenhofer, M.: Multiscale modeling and deep learning: reverse-mapping of condensed-phase molecular structures. Dissertation, Johannes Gutenberg-Universität, Mainz (2022)

Spiller, D.: Spinodal Decomposition of Polymer-Solvent Systems: Theory and Simulation. Dissertation, Johannes Gutenberg-Universität, Mainz (2021)

Bause, M.: Maximum caliber approach to reweight dynamics of non-equilibrium steady states. Dissertation, Universiteit van Amsterdam, Amsterdam (2021)

Joshi, B. L.: Crystallization study on the lipid-based system: cocoa butter-tristearin/cocoa butter-coconut oil and fat/oil-hydrocarbons blends: thermal mixing behavior, crystallization kinetics, and rheology. Dissertation, Johannes Gutenberg-Universität, Mainz (2021)

Paterson, L.: Computer aided design of stable and efficient OLEDs. Dissertation, Johannes Gutenberg-Universität, Mainz (2021)

Fiorentini, R.: Multiple-resolution simulations of biomolecules. Dissertation, Johannes Gutenberg-Universität, Mainz (2020)

Kanekal, K.: Investigating the Effect of Coarse-Graining on Chemical Compound Space. Dissertation, Johannes Gutenberg-Universität, Mainz (2020)

Zhang, J.: Studying Polymeric Materials with Mesoscopic Models. Focus: Multiscale Properties. Dissertation, Johannes Gutenberg-Universität, Mainz (2020)

Heidari, M.: Development and application of Hamiltonian adaptive resolution simulations for systems having long-range interactions. Dissertation, Johannes Gutenberg-Universität, Mainz (2019)

Liu, C.: Crystal stability and polymorphism of syndiotactic polystyrene from multiscale simulations. Dissertation, Johannes Gutenberg-Universität, Mainz (2019)

Wehner, J.: Investigation of exciton properties in organic materials via many-body perturbation theory. Dissertation, Technische Universiteit Eindhoven, Eindhoven (2019)

Beccard, S.: Rheological and thermal properties of structure-forming oligosaccharides as basis of food model systems. Dissertation, Johannes Gutenberg-Universität, Mainz (2018)

Kling, T.: Like ice in the sunshine: surface rearrangement and pre-melting of the three most prominent surfaces of hexagonal ice. Dissertation, Johannes Gutenberg-Universität, Mainz (2017)

Kreis, K.: Advanced adaptive resolution methods for molecular simulation. Dissertation, Johannes Gutenberg-Universität, Mainz (2017)

Najafi, S.: The dynamics and statistics of knots in biopolymers. Dissertation, Johannes Gutenberg-Universität, Mainz (2017)

Melnyk, A.: Relating chemical structure and molecular packing to charge transport in conjugated polymers. Dissertation, Johannes Gutenberg-Universität, Mainz (2016)

Russ, N.: Rheology and thermodynamics of starch-based hydrogel-mixtures. Dissertation, Johannes Gutenberg-Universität, Mainz (2016)

Gemünden, P.: Top-down modeling of hierachically structured soft matter: liquid crystalline mesophases of polymeric semiconductors. Dissertation, Ruperto-Carola University of Heidelberg, Heidelberg (2015)

Poelking, C.: The (non-)local density of states of electronic excitations in organic semiconductors. Dissertation, Ruperto Carola Universität, Heidelberg (2015)