136 citations · 282 across the 15 of their papers we have counts for
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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…
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…
Molecular dynamics simulations in hybrid particle-continuum schemes: Pitfalls and caveats
Stefanie Stalter, Leonid Yelash, Nehzat Emamy +4
Heterogeneous multiscale methods (HMM) combine molecular accuracy of particle-based simulations with the computational efficiency of continuum descriptions to model flow in soft ma…