Related papers: Physical perspectives on the global optimization o…
Ground state structures found in nature are in many cases of high symmetry. But structure prediction methods typically render only a small fraction of high symmetry structures. Especially for large crystalline unit cells there are many low…
Protein structure is generally conceptualized as the global arrangement or of smaller, local motifs of helices, sheets, and loops. These regular, recurring secondary structural elements have well-understood and standardized definitions in…
Distributing points on a (possibly high-dimensional) sphere with minimal energy is a long-standing problem in and outside the field of mathematics. This paper considers a novel energy function that arises naturally from statistics and…
Consider a convex function that is invariant under an group of transformations. If it has a minimizer, does it also have an invariant minimizer? Variants of this problem appear in nonparametric statistics and in a number of adjacent fields.…
In this paper we report on massive computer experiments aimed at finding spherical point configurations that minimize potential energy. We present experimental evidence for two new universal optima (consisting of 40 points in 10 dimensions…
Placement is crucial in the physical design, as it greatly affects power, performance, and area metrics. Recent advancements in analytical methods, such as DREAMPlace, have demonstrated impressive performance in global placement. However,…
Geometric quantum mechanics aims to express the physical properties of quantum systems in terms of geometrical features preferentially selected in the space of pure states. Geometric characterisations are given here for systems of one, two,…
Optimal control theory is a versatile tool that presents a route to significantly improving figures of merit for quantum information tasks. We combine it here with the geometric theory for local equivalence classes of two-qubit operations…
We study physics of clusters of galaxies embedded in the cosmic dark energy background. Under the assumption that dark energy is described by the cosmological constant, we show that the dynamical effects of dark energy are strong in…
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,…
The nuclear-matter liquid-gas phase transition induces instabilities against finite-size density fluctuations. This has implications for both heavy-ion-collision and compact-star physics. In this paper, we study the clusterization…
Despite major advances in the understanding of the formation and dynamics of nano-clusters in the past decades, theoretical bases for the control of their shape are still lacking. We investigate strategies for driving fluctuating…
The question of the nature of galaxy clustering and the possible homogeneity of galaxy distribution is one of the fundamental problem of cosmology. It is well established that galaxy structures are characterized, up to a certain scale, by…
We investigate the self-organization of point-particles with short-range interactions modeled via simple 1D and 2D Hubbard-like models. We show how various properties emerge such as, boson-like ordering leading to topological structures in…
This contribution gives a short review of recent theoretical advances in most topics of nuclear cluster physics concentrating, however, around {$\alpha$} particle clustering. Along the route, the point of view will be critical mentioning…
Two distinct structures of aggregates of atoms connected by anisotropic bonds with a network configuration are discussed from the viewpoint of a point set topology. A specific topological space connects the two types of topological…
Two important pieces of nuclear structure are many-body collective deformations and single-particle spin-orbit splitting. The former can be well-described microscopically by simple SU(3) irreps, but the latter mixes SU(3) irreps, which…
We present a novel method, which we call dual minima hopping method (DMHM), that allows us to find the global minimum of the potential energy surface (PES) within density functional theory for systems where a fast but less accurate…
In this paper we consider the problem of characterizing the minimum energy configurations of a finite system of particles interacting between them due to attracting or repulsive forces given by a certain inter molecular potential. We limit…
The mechanical properties of metallic nanostructures are governed not only by topology but also by crystal symmetry and face-specific surface physics, which are typically absent from continuum topology optimization. We develop an…