In this paper we revisit the derivation of equations of motion for coarse-grained (CG)
particles from the microscopic Hamiltonian dynamics of the underlying atomistic system in …

We consider the generalized Langevin equations of motion describing exactly the particle-
based coarse-grained dynamics in the classical microscopic ensemble that were derived …

Coarse grained (CG) molecular dynamics simulations are widely used to accelerate
atomistic simulations but generally lack a formalism to preserve the dynamics of the system …

The Mori-Zwanzig formalism for coarse-graining a complex dynamical system typically
introduces memory effects. The Markovian assumption of delta-correlated fluctuating forces …

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 …

Preserving the correct dynamics at the coarse-grained (CG) level is a pressing problem in
the development of systematic CG models in soft matter simulation. Starting from the seminal …

Several molecular coarse-graining methods have been proposed in recent years to derive
chemical-and state-point transferable force fields. While these force fields describe structural …

We derive alternative Markov approximations for the projected (stochastic) force and
memory function in the coarse-grained (CG) generalized Langevin equation, which …

Coarse-grained (CG) models enable highly efficient simulations of complex processes that
cannot be effectively studied with more detailed models. CG models are often parameterized …

Coarse-grained (CG) simulation models of condensed-phase systems can be derived with
well-established methods that perform coarse-graining in space and provide an effective …