Active matter, responsive ("smart") materials and materials under time-dependent load are systems out of thermal equilibrium. To construct coarse-grained models for such systems, one needs to integrate out a distribution of microstates that evolves in time. This is a challenging task. As a preparation to the topic, we recall equilibrium coarse-graining methods, both theoretical and numerical, such as projection operator formalisms, united atom simulations, numerical reconstruction of memory and Markov State Modelling. Then we review recent developments in theoretical approaches to the non-equilibrium coarse-graining problem, in particular, time-dependent projection operator formalisms, dynamic density functional theory and power functional ...
When viewed through a coarse-grained lens, important molecular and biophysical systems can appear to...
In this thesis we derive deterministic and stochastic models that describe physical processes and th...
A new Brownian dynamics model is presented to describe the coarse grain dynamics of particles with l...
Coarse-graining or model reduction is a term describing a range of approaches used to extend the tim...
The systematic development of coarse-grained (CG) models via the Mori–Zwanzig projector operator for...
We use projection operators to address the coarse-grained multiscale problem in harmonic systems. St...
Model reduction and coarse-graining are important in many areas of science and engineering. How does...
peer reviewedA general formulation of stochastic thermodynamics is presented for open systems exchan...
Coarse-grained (CG) models reduce the number of degrees of freedom in a system, allowing the dynamic...
Coarse-grained (CG) models are simplified representations of soft matter systems that are commonly e...
Nonequilibrium phenomena are ubiquitous in nature as well as industrial applications. However, their...
Coarse-grained approaches are widely considered for analyzing multiatomic systems. They are based on...
We discuss a data-driven, coarse-graining formulation in the context of equilibrium statistical mech...
Molecular dynamics represents a key enabling technology for applications ranging from biology to the...
Computer simulations of molecules and atoms are useful tools in soft matter research. Physical chemi...
When viewed through a coarse-grained lens, important molecular and biophysical systems can appear to...
In this thesis we derive deterministic and stochastic models that describe physical processes and th...
A new Brownian dynamics model is presented to describe the coarse grain dynamics of particles with l...
Coarse-graining or model reduction is a term describing a range of approaches used to extend the tim...
The systematic development of coarse-grained (CG) models via the Mori–Zwanzig projector operator for...
We use projection operators to address the coarse-grained multiscale problem in harmonic systems. St...
Model reduction and coarse-graining are important in many areas of science and engineering. How does...
peer reviewedA general formulation of stochastic thermodynamics is presented for open systems exchan...
Coarse-grained (CG) models reduce the number of degrees of freedom in a system, allowing the dynamic...
Coarse-grained (CG) models are simplified representations of soft matter systems that are commonly e...
Nonequilibrium phenomena are ubiquitous in nature as well as industrial applications. However, their...
Coarse-grained approaches are widely considered for analyzing multiatomic systems. They are based on...
We discuss a data-driven, coarse-graining formulation in the context of equilibrium statistical mech...
Molecular dynamics represents a key enabling technology for applications ranging from biology to the...
Computer simulations of molecules and atoms are useful tools in soft matter research. Physical chemi...
When viewed through a coarse-grained lens, important molecular and biophysical systems can appear to...
In this thesis we derive deterministic and stochastic models that describe physical processes and th...
A new Brownian dynamics model is presented to describe the coarse grain dynamics of particles with l...