Projection of diffusions on submanifolds: Application to mean force computation
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Computational methods for ergodic theory (approximation of invariant measures, computation of Lyapunov exponents, entropy, etc.) (37M25) Stochastic ordinary differential equations (aspects of stochastic analysis) (60H10) Diffusion processes (60J60) Applications of Brownian motions and diffusion theory (population genetics, absorption problems, etc.) (60J70) Stochastic methods (Fokker-Planck, Langevin, etc.) applied to problems in time-dependent statistical mechanics (82C31)
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Cites work
- A geometric approach to constrained molecular dynamics and free energy
- scientific article; zbMATH DE number 410743 (Why is no real title available?)
- scientific article; zbMATH DE number 45081 (Why is no real title available?)
- scientific article; zbMATH DE number 1745044 (Why is no real title available?)
- Metastability, conformation dynamics, and transition pathways in complex systems
- Simulating Hamiltonian Dynamics
Cited in
(30)- Rough homogenisation with fractional dynamics
- Data-driven approximation of the Koopman generator: model reduction, system identification, and control
- Jarzynski's equality, fluctuation theorems, and variance reduction: mathematical analysis and numerical algorithms
- Analysis of some discretization schemes for constrained stochastic differential equations
- An ergodic sampling scheme for constrained Hamiltonian systems with applications to molecular dynamics
- A geometric approach to constrained molecular dynamics and free energy
- Order conditions for sampling the invariant measure of ergodic stochastic differential equations on manifolds
- Finding transition pathways on manifolds
- Langevin dynamics with constraints and computation of free energy differences
- Stochastic dynamics for inextensible fibers in a spatially semi-discrete setting
- Conservative stochastic differential equations: mathematical and numerical analysis
- Hydrodynamic fluctuations in quasi-two dimensional diffusion
- Nonreversible sampling schemes on submanifolds
- A uniformly accurate scheme for the numerical integration of penalized Langevin dynamics
- Constrained overdamped Langevin dynamics for symmetric multimarginal optimal transportation
- Ergodic SDEs on submanifolds and related numerical sampling schemes
- Coarse graining of nonreversible stochastic differential equations: quantitative results and connections to averaging
- Projecting diffusion along the normal bundle of a plane curve
- Pathwise estimates for effective dynamics: the case of nonlinear vectorial reaction coordinates
- Sticky Brownian Motion and Its Numerical Solution
- Theoretical and numerical comparison of some sampling methods for molecular dynamics
- A constrained hybrid Monte‐Carlo algorithm and the problem of calculating the free energy in several variables
- Partial differential equations and stochastic methods in molecular dynamics
- Optimal Reaction Coordinates: Variational Characterization and Sparse Computation
- Fixing the flux: a dual approach to computing transport coefficients
- A dynamic-solver-consistent minimum action method: with an application to 2D Navier-Stokes equations
- Approaches for fast Brownian dynamics simulation with constraints
- Long-time convergence of an adaptive biasing force method: the bi-channel case
- Riemannian denoising diffusion probabilistic models
- Affine constraints in nonreversible diffusions with degenerate noise
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