Constrained shrinking dimer dynamics for saddle point search with constraints

DOI10.1016/j.jcp.2012.03.006zbMath1248.65069OpenAlexW1995102330MaRDI QIDQ440616

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)

Related Items (11)

Newton algorithm on constraint manifolds and the 5-electron Thomson problem ⋮ Constrained high-index saddle dynamics for the solution landscape with equality constraints ⋮ Estimation of reactive fluxes in gradient stochastic systems using an analogy with electric circuits ⋮ A model-free shrinking-dimer saddle dynamics for finding saddle point and solution landscape ⋮ 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 ⋮ Projection method for saddle points of energy functional in \(H^{-1}\) metric ⋮ Global optimization-based dimer method for finding saddle points ⋮ Optimization-based Shrinking Dimer Method for Finding Transition States ⋮ An Iterative Minimization Formulation for Saddle Point Search ⋮ A constrained gentlest ascent dynamics and its applications to finding excited states of Bose-Einstein condensates

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