Constrained shrinking dimer dynamics for saddle point search with constraints

DOI10.1016/J.JCP.2012.03.006zbMATH Open1248.65069OpenAlexW1995102330MaRDI QIDQ440616FDOQ440616

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

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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)

Cites Work

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• Centroidal Voronoi Tessellations: Applications and Algorithms
• Advances in studies and applications of centroidal Voronoi tessellations
• Shrinking dimer dynamics and its applications to saddle point search
• The string method as a dynamical system
• Experimental study of energy-minimizing point configurations on spheres
• Order and disorder in energy minimization
• A constrained string method and its numerical analysis
• The gentlest ascent dynamics
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• Simultaneous Prediction of Morphologies of a Critical Nucleus and an Equilibrium Precipitate in Solids
• Gradient Transformation Trajectory Following Algorithms for Determining Stationary Min-Max Saddle Points
• Numerical simulations of the quantized vortices on a thin superconducting hollow sphere
• A numerical method for the study of nucleation of ordered phases

Cited In (14)

• 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
• Shrinking dimer dynamics and its applications to saddle point search

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