Related papers: Physical perspectives on the global optimization o…
This paper presents a global optimization approach to quantum mechanics, which describes the most fundamental dynamics of the universe. It suggests that the wave-like behavior of (sub)atomic particles could be the critical characteristic of…
In principle, all of the dynamical complexities of many-body systems are encapsulated in the potential energy landscapes on which the atoms move - an observation that suggests that the essentials of the dynamics ought to be determined by…
We show how to speed up global optimization of molecular structures using machine learning methods. To represent the molecular structures we introduce the auto-bag feature vector that combines: i) a local feature vector for each atom, ii)…
Optimization of non-convex loss surfaces containing many local minima remains a critical problem in a variety of domains, including operations research, informatics, and material design. Yet, current techniques either require extremely high…
We discuss and compare several geometric structures which imply an upper bound to the acceleration of a particle measured in its rest system. While all of them have the same implications on the motion of a point particle, they differ in…
The aim of this work is to study the physical properties of a one-way quantum computer in an effective low-energy cluster state. We calculate the optimal working conditions as a function of the temperature and of the system parameters. The…
Optimal geometrical arrangements, such as the stacking of atoms, are of relevance in diverse disciplines. A classic problem is the determination of the optimal arrangement of spheres in three dimensions in order to achieve the highest…
A new approach is proposed for finding the "best cut" in a hierarchy of partitions by energy minimization. Said energy must be "climbing" i.e. it must be hierarchically and scale increasing. It encompasses separable energies and those…
We perform a comprehensive survey of the potential energy landscapes of 13-atom Morse clusters, and describe how they can be characterized and visualized. Our aim is to detail how the global features of the funnel-like surface change with…
We propose a method to determine the locally preferred structure of model liquids. This latter is obtained numerically as the global minimum of the effective energy surface of clusters formed by small numbers of particles embedded in a…
Clustering is one of the most complex phenomena known to the structure of atomic nuclei. A comprehensive description of this ubiquitous phenomenon goes beyond standard shell model and cluster model frameworks. We argue that clustering is a…
Numerical optimization for the inverse design of photonic structures is a tool which is providing increasingly convincing results -- even though the wave nature of problems in photonics makes them particularly complex. In the meantime, the…
Why are simple, regular, and symmetric shapes common in nature? Many natural shapes arise as solutions to energy minimisation or other optimisation problems, but is there a general relation between optima and simple, regular shapes and…
The influence of quadrupolar interactions on the structure of small clusters is investigated by adding a point quadrupole of variable strength to the Lennard-Jones potential. Competition arises between sheet-like arrangements of the…
Recent years have witnessed the adoption of optical circuit switch (OCS) technology. How to design the physical topology, defined by the physical wiring between electrical switching equipments and the OCS, is fundamental to designing…
Most of the novel energy materials contain multiple elements occupying a single site in their lattice. The exceedingly large configurational space of these materials imposes challenges in determining their ground-state structures. Coulomb…
Colloidal clusters consist of small numbers of colloidal particles bound by weak, short-range attractions. The equilibrium probability of observing a cluster in a particular geometry is well-described by a statistical mechanical model…
Crystal structure prediction is now playing an increasingly important role in discovery of new materials. Global optimization methods such as genetic algorithms (GA) and particle swarm optimization (PSO) have been combined with first…
Particle swarm optimization algorithm is a stochastic meta-heuristic solving global optimization problems appreciated for its efficacity and simplicity. It consists in a swarm of particles interacting among themselves and searching the…
We use so-called geometrical approach in description of transition from regular motion to chaotic in Hamiltonian systems with potential energy surface that has several local minima. Distinctive feature of such systems is coexistence of…