Related papers: Physical perspectives on the global optimization o…
We studied the structural and the electronic properties of ionized and neutral small Au clusters via plane wave pseudopotential calculations. All except the anionic heptamer favor one-dimensional zigzag structures or two-dimensional…
Description of a nuclear system in its ground state and at low excitations based on the equation of state (EoS) around normal density is presented. In the expansion of the EoS around the saturation point additional spin polarization terms…
We investigate the interplay of particle number, N, and structural properties of selected clusters with N=12 up to N=562 by employing Gupta potentials parameterized for Aluminum and extensive Monte-Carlo simulations. Our analysis focuses on…
Recently, we presented a framework for understanding protein structure based on the idea that simple constructs of holding hands or touching of objects can be used to rationalize the common characteristics of globular proteins. We developed…
We investigate the nonlocal energy corresponding to the $p$-oscillation of the unit normal vector for hypersurfaces, or the unit tangent vector for curves. The energy satisfies geometric inequalities with optimal constants $c(n,p)$ and…
Combinatorial optimization can be described as the problem of finding a feasible subset that maximizes a objective function. The paper discusses combinatorial optimization problems, where for each dimension the set of feasible subsets is…
Mathematical crystal chemistry views crystal structures as the optimal solutions of mathematical optimization problem formalizing inorganic structural chemistry. This paper introduces the minimum and maximum atomic radii depending on the…
In this paper, we review some features of quantum annealing and related topics from viewpoints of statistical physics, condensed matter physics, and computational physics. We can obtain a better solution of optimization problems in many…
We report on a study of a finite system of classical confined particles in two-dimensions in the presence of a uniform magnetic field and interacting via a two-body repulsive potential. We develop a simple analytical method of analysis to…
The energy spectrum of two short-range interacting particles in a harmonic potential trap has previously been related to free-space scattering phase shifts. But the existing formula for this purpose is exact only in the limit of an…
A simple approach is proposed to investigate the protein structure. Using a low complexity model, a simple pairwise interaction and the concept of global optimization, we are able to calculate ground states of proteins, which are in…
The reliable and precise generation of quantum unitary transformations is essential to the realization of a number of fundamental objectives, such as quantum control and quantum information processing. Prior work has explored the optimal…
The thermodynamic equilibrium conditions for compact structures composed by mass varying particles are discussed assuming that the so-called dynamical mass behaves like an additional extensive thermodynamic degree of freedom. It then…
Atomic congestion games are a classic topic in network design, routing, and algorithmic game theory, and are capable of modeling congestion and flow optimization tasks in various application areas. While both the price of anarchy for such…
Finding an optimal match between two different crystal structures underpins many important materials science problems, including describing solid-solid phase transitions, developing models for interface and grain boundary structures. In…
Motivated by recent experiments on colloidal systems with competing attractive and repulsive interactions, we simulate a two-dimensional system of colloids with competing interactions that can undergo fragmentation. In the absence of any…
The dynamics and spontaneous organization of coupled particles is a classic problem in modeling and applied mathematics. Here we examine the behavior of particles coupled by the Ricker potential, exhibiting finite local repulsion…
This paper proposes topology optimization for considering shielding and penetrating features. Based on the fictitious physical model, which is a useful approach to control geometric features, the proposed method analyzes fictitious…
The development of tailored materials for specific applications is an active field of research in chemistry, material science and drug discovery. The number of possible molecules that can be obtained from a set of atomic species grow…
This paper defines the basis of a new hierarchical framework for segmentation algorithms based on energy minimization schemes. This new framework is based on two formal tools. First, a combinatorial pyramid encode efficiently a hierarchy of…