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A method for locating first order saddle points on the energy surface of a magnetic system is described and several applications presented where the mechanism of various magnetic transitions is identified. The starting point for the…

Computational Physics · Physics 2025-01-17 Hendrik Schrautzer , Moritz Sallermann , Pavel F. Bessarab , Hannes Jónsson

We present a metaheuristic conditional neural-network-based method aimed at identifying physically interesting metastable states in a potential energy surface of high rugosity. To demonstrate how this method works, we identify and analyze…

Understanding how complex systems transition between states requires mapping the energy landscape that governs these changes. Local transition-state networks reveal the barrier architecture that explains observed behaviour and enables…

Computational Physics · Physics 2025-10-01 Qichen Xu , Anna Delin

The equilibrium configuration of an engineering structure, able to withstand a certain loading condition, is usually associated with a local minimum of the underlying potential energy. However, in the nonlinear context, there may be other…

Chaotic Dynamics · Physics 2019-02-04 Jun Zhong , Lawrence N. Virgin , Shane D. Ross

We apply the minimum energy paths (MEPs) approach to study the helix unwinding transition in chiral nematic liquid crystals. A mechanism of the transition is determined by a MEP passing through a first order saddle point on the free energy…

Soft Condensed Matter · Physics 2020-01-08 Semen S. Tenishchev , Alexei D. Kiselev , Aleksei V. Ivanov , Valery M. Uzdin

Topological magnetic textures are particle-like spin configurations stabilized by competing interactions. Their formation is commonly attributed to fluctuation-driven, first-order nucleation processes requiring activation over a topological…

Saddle points provide a hierarchical view of the energy landscape, revealing transition pathways and interconnected basins of attraction, and offering insight into the global structure, metastability, and possible collective mechanisms of…

Numerical Analysis · Mathematics 2025-10-17 Baoming Shi , Lei Zhang , Qiang Du

Accurate determination of transition states is central to an understanding of reaction kinetics. Double-endpoint methods where both initial and final states are specified, such as the climbing image nudged elastic band (CI-NEB), identify…

Chemical Physics · Physics 2026-04-08 Rohit Goswami , Miha Gunde , Hannes Jónsson

The magnetic textures on nanoscale possess topological features due to the continuity of the magnetization vector field and its boundary conditions. In thin planar nanoelements, where the dependence of the magnetization across the thickness…

Mesoscale and Nanoscale Physics · Physics 2020-01-08 Andrei B. Bogatyrëv , Konstantin L. Metlov

The magnetic relaxation processes in disordered two-dimensional ensembles of dipole-coupled magnetic nanoparticles are theoretically investigated by performing numerical simulations. The energy landscape of the system is explored by…

Materials Science · Physics 2009-11-13 G. M. Pastor , P. J. Jensen

An analysis of the network defined by the potential energy minima of multi-atomic systems and their connectivity via reaction pathways that go through transition states allows to understand important characteristics like thermodynamic,…

Materials Science · Physics 2016-08-03 Bastian Schaefer , Stefan Goedecker

We address an iterative procedure that can be used to detect coarse-grained hyperbolic unstable equilibria (saddle points) of microscopic simulators when no equations at the macroscopic level are available. The scheme is based on the…

Dynamical Systems · Mathematics 2013-10-02 A. C. Tsoumanis , C. I. Siettos

In the framework of time series analysis with recurrence networks, we introduce a self-adaptive method that determines the elusive recurrence threshold and identifies metastable states in complex real-world time series. As initial step, we…

Data Analysis, Statistics and Probability · Physics 2014-10-22 Iliusi Vega , Christof Schütte , Tim O. F. Conrad

Training Deep Neural Networks relies on the model converging on a high-dimensional, non-convex loss landscape toward a good minimum. Yet, much of the phenomenology of training remains ill understood. We focus on three seemingly disparate…

Machine Learning · Computer Science 2025-12-16 Ibrahim Talha Ersoy , Andrés Fernando Cardozo Licha , Karoline Wiesner

Calculations of stable and metastable magnetic states as well as minimum energy paths for transitions between states are carried out using a noncollinear extension of the multiple-impurity Alexander-Anderson model and a magnetic force…

Mesoscale and Nanoscale Physics · Physics 2015-06-19 Pavel F. Bessarab , Valery M. Uzdin , Hannes Jónsson

We propose a novel design paradigm for multistate machines where transitions from one state to another are organized by bifurcations of multiple equilibria of the energy landscape describing the collective interactions of the machine…

Soft Condensed Matter · Physics 2023-12-04 Teaya Yang , David Hathcock , Yuchao Chen , Paul McEuen , James P. Sethna , Itai Cohen , Itay Griniasty

Topological defects, called magnetic hedgehogs, realize emergent magnetic monopoles, which are not allowed in the ordinary electromagnetism described by Maxwell's equations. Such monopoles were experimentally discovered in magnets in two…

Strongly Correlated Electrons · Physics 2023-04-06 Yasuyuki Kato , Yukitoshi Motome

In systems characterized by a rough potential energy landscape, local energetic minima and saddles define a network of metastable states whose topology strongly influences the dynamics. Changes in temperature, causing the merging and…

Soft Condensed Matter · Physics 2009-07-24 Marco Baiesi , Lorenzo Bongini , Lapo Casetti , Lorenzo Tattini

The statistical mechanical approach to complex networks is the dominant paradigm in describing natural and societal complex systems. The study of network properties, and their implications on dynamical processes, mostly focus on locally…

Statistical Mechanics · Physics 2013-06-27 Giovanni Petri , Martina Scolamiero , Irene Donato , Francesco Vaccarino

We describe a numerical study of the potential energy landscape for the two-dimensional XY model (with no disorder), considering up to 100 spins and CPU and GPU implementations of local optimization, focusing on minima and saddles of index…

Statistical Mechanics · Physics 2013-11-27 Dhagash Mehta , Ciaran Hughes , Mario Schröck , David J. Wales
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