Papers
Topics
Authors
Recent
Gemini 2.5 Flash
Gemini 2.5 Flash
134 tokens/sec
GPT-4o
9 tokens/sec
Gemini 2.5 Pro Pro
47 tokens/sec
o3 Pro
4 tokens/sec
GPT-4.1 Pro
38 tokens/sec
DeepSeek R1 via Azure Pro
28 tokens/sec
2000 character limit reached

Global optimization-based dimer method for finding saddle points (1910.05703v1)

Published 13 Oct 2019 in math.NA and cs.NA

Abstract: Searching saddle points on the potential energy surface is a challenging problem in the rare event. When there exist multiple saddle points, sampling different initial guesses are needed in most dimer-type methods in order to find distinct saddle points. In this paper, we present a novel global optimization-based dimer method (GOD) to efficiently search saddle points by coupling ant colony optimization (ACO) algorithm with optimization-based shrinking dimer (OSD) method. In particular, we apply OSD method as a local search algorithm for saddle points and construct a pheromone function in ACO to update the global population. By applying a two-dimensional example and a benchmark problem of seven-atom island on the (111) surface of an FCC crystal, we demonstrate that GOD shows a significant improvement in computational efficiency compared with OSD method. Our algorithm offers a new framework to open up possibilities of adopting other global optimization methods to search saddle points.

Citations (7)

Summary

We haven't generated a summary for this paper yet.