Constrained shrinking dimer dynamics for saddle point search with constraints

DOI10.1016/J.JCP.2012.03.006MaRDI QIDQ440616zbMATH OpenOpenAlexFDO

Authors Jingyan Zhang, Qiang Du

Publication date 19 August 2012

Published in Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.jcp.2012.03.006

zbMATH Keywords

numerical examplessaddle pointpotential energy surfaceconstrained saddle pointcritical nucleigeneralized Thomson problemperiodic centroidal Voronoi tessellationsshrinking dimer dynamicstransition state

Mathematics Subject Classification ID

Numerical optimization and variational techniques (65K10) Existence theories for optimal control problems involving ordinary differential equations (49J15) Discrete approximations in optimal control (49M25)

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Cites work

• scientific article; zbMATH DE number 45081 (Why is no real title available?)
• scientific article; zbMATH DE number 6164563 (Why is no real title available?)
• scientific article; zbMATH DE number 3281211 (Why is no real title available?)
• A constrained string method and its numerical analysis
• A numerical method for the study of nucleation of ordered phases
• Advances in studies and applications of centroidal Voronoi tessellations
• Centroidal Voronoi Tessellations: Applications and Algorithms
• Experimental study of energy-minimizing point configurations on spheres
• Gradient Transformation Trajectory Following Algorithms for Determining Stationary Min-Max Saddle Points
• Numerical simulations of the quantized vortices on a thin superconducting hollow sphere
• Order and disorder in energy minimization
• Shrinking dimer dynamics and its applications to saddle point search
• Simultaneous Prediction of Morphologies of a Critical Nucleus and an Equilibrium Precipitate in Solids
• The gentlest ascent dynamics
• The string method as a dynamical system

Cited in

(14)

• Shrinking dimer dynamics and its applications to saddle point search
• Projection method for saddle points of energy functional in \(H^{-1}\) metric
• A constrained gentlest ascent dynamics and its applications to finding excited states of Bose-Einstein condensates
• A local minimax method using virtual geometric objects. I. For finding saddles
• A local minimax method using virtual geometric objects. II. For finding equality constrained saddles
• An iterative minimization formulation for saddle point search
• Newton algorithm on constraint manifolds and the 5-electron Thomson problem
• Global optimization-based dimer method for finding saddle points
• Constrained high-index saddle dynamics for the solution landscape with equality constraints
• A model-free shrinking-dimer saddle dynamics for finding saddle point and solution landscape
• Estimation of reactive fluxes in gradient stochastic systems using an analogy with electric circuits
• Optimization-based shrinking dimer method for finding transition states
• A constrained string method and its numerical analysis
• Construction of solution landscapes for complex systems

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