Showing physics.comp-phShow all
2 papers · 1 filter
physics.comp-ph2026
Consistent Projection of Langevin Dynamics: Preserving Thermodynamics and Kinetics in Coarse-Grained Models
Vahid Nateghi, Lara Neureither, Selma Moqvist +3
Coarse graining (CG) is an important task for efficient modeling and simulation of complex multi-scale systems, such as the conformational dynamics of biomolecules. This work prese…
physics.comp-ph2025
Kinetically Consistent Coarse Graining using Kernel-based Extended Dynamic Mode Decomposition
Vahid Nateghi, Feliks Nüske
In this paper, we show how kernel-based models for the Koopman generator -- the gEDMD method -- can be used to identify coarse-grained dynamics on reduced variables, which retain t…