Multiscale gentlest ascent dynamics for saddle point in effective dynamics of slow-fast system

DOI10.4310/CMS.2017.V15.N8.A7zbMATH Open1453.60129arXiv1602.00953OpenAlexW2962896016MaRDI QIDQ1709656FDOQ1709656

Authors: Peng Zhang 

Publication date: 6 April 2018

Published in: Communications in Mathematical Sciences (Search for Journal in Brave)

Abstract: Here we present a multiscale method to calculate the saddle point associated with the effective dynamics arising from a stochastic system which couples slow deterministic drift and fast stochastic dynamics. This problem is motivated by the transition states on free energy surfaces in chemical physics. Our method is based on the gentlest ascent dynamics which couples the position variable and the direction variable and has the local convergence to saddle points. The dynamics of the direction vector is derived in terms of the covariance function with respective to the equilibrium distribution of the fast stochastic process. We apply the multiscale numerical methods to efficiently solve the obtained multiscale gentlest ascent dynamics, {and discuss the acceleration techniques based on the adaptive idea.} The examples of stochastic ordinary and partial differential equations are presented.

Full work available at URL: https://arxiv.org/abs/1602.00953

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zbMATH Keywords

multiscale methodsaddle pointgentlest ascent dynamics

Mathematics Subject Classification ID

Stochastic partial differential equations (aspects of stochastic analysis) (60H15) Stochastic ordinary differential equations (aspects of stochastic analysis) (60H10) Random dynamical systems aspects of multiplicative ergodic theory, Lyapunov exponents (37H15) Computational methods for stochastic equations (aspects of stochastic analysis) (60H35) Classical dynamic and nonequilibrium statistical mechanics (general) (82C05) Numerical problems in dynamical systems (65Pxx)

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• Active learning for saddle point calculation
• A constrained gentlest ascent dynamics and its applications to finding excited states of Bose-Einstein condensates
• Non-equilibrium steady states as saddle points and EDP-convergence for slow-fast gradient systems
• Simplified gentlest ascent dynamics for saddle points in non-gradient systems
• Staying the course: iteratively locating equilibria of dynamical systems on Riemannian manifolds defined by point-clouds
• Convex splitting method for the calculation of transition states of energy functional
• The gentlest ascent dynamics

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