3 papers
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…
math.PR2026
Realisation of constraints in underdamped Langevin dynamics
Carsten Hartmann, Lara Neureither, Upanshu Sharma
This article deals with the realisation of constraints in underdamped Langevin dynamics via soft-constrained dynamics. Specifically, we study systems with a large (or small) parame…
math.PR2025
Affine constraints in non-reversible diffusions with degenerate noise
Carsten Hartmann, Lara Neureither, Upanshu Sharma
This paper deals with the realisation of affine constraints on nonreversible stochastic differential equations (SDE) by strong confining forces. We prove that the confined dynamics…