136 citations · 434 across the 22 of their papers we have counts for
18 papers · 1 filter
Coarse-graining far-from-equilibrium dynamics using oblique projectors
Gerhard Jung
We generalize the Mori-Zwanzig projection operator formalism by introducing an oblique projector using biorthogonal variables to coarse-grain the dynamics of systems far from equil…
Passive particle in an active bath: How can we tell it is out of equilibrium?
Jeanine Shea, Gerhard Jung, Friederike Schmid
We study a passive probe immersed in a fluid of active particles. Despite the system's non-equilibrium nature, the trajectory of the probe does not exhibit non-equilibrium signatur…
Dynamic Coarse-Graining of Linear and Non-Linear Systems: Mori-Zwanzig Formalism and Beyond
Bernd Jung, Gerhard Jung
To investigate the impact of non-linear interactions on dynamic coarse graining, we study a simplified model system, featuring a tracer particle in a complex environment. Using a p…
Computer Simulations and Mode-Coupling Theory of Glass-Forming Confined Hard-Sphere Fluids
Gerhard Jung, Thomas Franosch
We present mode-coupling theory (MCT) results for densely packed hard-sphere fluids confined between two parallel walls and compare them quantitatively to computer simulations. The…
Predicting dynamic heterogeneity in glass-forming liquids by physics-inspired machine learning
Gerhard Jung, Giulio Biroli, Ludovic Berthier
We introduce GlassMLP, a machine learning framework using physics-inspired structural input to predict the long-time dynamics in deeply supercooled liquids. We apply this deep neur…
Structural properties of liquids in extreme confinement
Gerhard Jung, Thomas Franosch
We simulate a hard-sphere liquid in confined geometry where the separation of the two parallel, hard walls is smaller than two particle diameters. By systematically reducing the wa…
Tagged-particle dynamics in confined colloidal liquids
Gerhard Jung, Lukas Schrack, Thomas Franosch
We present numerical results for the tagged-particle dynamics by solving the mode-coupling theory in confined geometry for colloidal liquids (cMCT). We show that neither the micros…
Tagged-particle motion in quasi-confined colloidal hard-sphere liquids
Lukas Schrack, Charlotte F. Petersen, Michele Caraglio +2
We investigate the tagged-particle motion in a strongly interacting quasi-confined liquid using periodic boundary conditions along the confining direction. Within a mode-coupling t…
Model reduction techniques for the computation of extended Markov parameterizations for generalized Langevin equations
Niklas Bockius, Jeanine Shea, Gerhard Jung +2
The generalized Langevin equation is a model for the motion of coarse-grained particles where dissipative forces are represented by a memory term. The numerical realization of such…
An improved integration scheme for Mode-coupling-theory equations
Michele Caraglio, Lukas Schrack, Gerhard Jung +1
Within the mode-coupling theory (MCT) of the glass transition, we reconsider the numerical schemes to evaluate the MCT functional. Here we propose nonuniform discretizations of the…
Confinement-induced demixing and crystallization
Gerhard Jung, Charlotte F. Petersen
We simulate a strongly size-disperse hard-sphere fluid confined between two parallel, hard walls. We find that confinement induces crystallization into n-layered hexagonal lattices…
Dynamical properties of densely packed confined hard-sphere fluids
Gerhard Jung, Michele Caraglio, Lukas Schrack +1
Numerical solutions of the mode-coupling theory (MCT) equations for a hard-sphere fluid confined between two parallel hard walls are elaborated. The governing equations feature mul…
Dynamic properties of quasi-confined colloidal hard-sphere liquids near the glass transition
Lukas Schrack, Charlotte F. Petersen, Gerhard Jung +2
The complex behavior of confined fluids arising due to a competition between layering and local packing can be disentangled by considering quasi-confined liquids, where periodic bo…
Wall slip and bulk yielding in soft particle suspensions
Gerhard Jung, Suzanne M. Fielding
We simulate a dense athermal suspension of soft particles sheared between hard walls of a prescribed roughness profile, using a method that fully accounts for the fluid mechanics o…
Generalized Langevin dynamics: Construction and numerical integration of non-Markovian particle-based models
Gerhard Jung, Martin Hanke, Friederike Schmid
We propose a generalized Langevin dynamics (GLD) technique to construct non-Markovian particle-based coarse-grained models from fine-grained reference simulations and to efficientl…
Iterative Reconstruction of Memory Kernels
Gerhard Jung, Martin Hanke, Friederike Schmid
In recent years, it has become increasingly popular to construct coarse-grained models with non-Markovian dynamics to account for an incomplete separation of time scales. One chall…
Frequency-dependent Hydrodynamic Interaction Between Two Solid Spheres
Gerhard Jung, Friederike Schmid
Hydrodynamic interactions play an important role in many areas of soft matter science. In simulations with implicit solvent, various techniques such as Brownian or Stokesian dynami…
Computing bulk and shear viscosities from simulations of fluids with dissipative and stochastic interactions
Gerhard Jung, Friederike Schmid
Exact values for bulk and shear viscosity are important to characterize a fluid and they are a necessary input for a continuum description. Here we present two novel methods to com…