相关论文: Revisiting the Complexity of Finding Globally Mini…

For several decades, globular clusters have been considered the best example of simple stellar populations, hosting coeval and chemical homogeneous stars. The last decade of spectroscopic and photometric studies has revealed a more complex…

Informally, a chemical reaction network is "atomic" if each reaction may be interpreted as the rearrangement of indivisible units of matter. There are several reasonable definitions formalizing this idea. We investigate the computational…

The Thomson Problem, arrangement of identical charges on the surface of a sphere, has found many applications in physics, chemistry and biology. Here we show that the energy landscape of the Thomson Problem for $N$ particles with $N=132,…

We present studies of the potential energy landscape of selected binary Lennard-Jones thirteen atom clusters. The effect of adding selected impurity atoms to a homogeneous cluster is explored. We analyze the energy landscapes of the studied…

The thermochemistry of the carbon clusters C$_n$ (n=2--10) has been revisited by means of W4 theory and W3.2lite theory. Particularly the larger clusters exhibit very pronounced post-CCSD(T) correlation effects. Despite this, our best…

The modern integrated circuit is one of the most complex products that has been engineered to-date. It continues to grow in complexity as the years progress. As a result, very large-scale integrated (VLSI) circuit design now involves…

We consider the Minimum Coverage Kernel problem: given a set $B$ of $d$-dimensional boxes, find a subset of $B$ of minimum size covering the same region as $B$. This problem is $\mathsf{NP}$-hard, but as for many $\mathsf{NP}$-hard problems…

The behavior of nuclear matter is studied at low densities and temperatures using classical molecular dynamics with three different sets of potentials with different compressibility. Nuclear matter is found to arrange in crystalline…

We address the problem of configuring a power distribution network with reliability and resilience objectives by satisfying the demands of the consumers and saturating each production source as little as possible. We consider power…

The binding energies of n < 100 carbon clusters are calculated using the ab-initio density functional theory code Quantum Espresso. Carbon cluster geometries are determined using several levels of classical techniques and further refined…

The composition of neutron stars is an issue that has been studied for decades. Yet we do not know exactly what these very compact objects are made of. At this stage of the technological development the best we can do is to constrain the…

We apply a number of atomic decomposition schemes across the standard QM7 dataset -- a small model set of organic molecules at equilibrium geometry -- to inspect the possible emergence of trends among contributions to atomization energies…

Energies with high-order non-submodular interactions have been shown to be very useful in vision due to their high modeling power. Optimization of such energies, however, is generally NP-hard. A naive approach that works for small problem…

Minimum energy conical intersections can be used to rationalize photochemical processes. In this Letter, we examine an algorithm to locate these structures that does not require the evaluation of nonadiabatic coupling vectors, showing that…

Binding energies of three-body systems of the type \phi+2N are estimated. Due to the strong attraction between \phi-meson and nucleon, suggested in different approaches, bound states can appear in systems like \phi+np (singlet and triplet)…

The minimum constraint removal problem seeks to find the minimum number of constraints, i.e., obstacles, that need to be removed to connect a start to a goal location with a collision-free path. This problem is NP-hard and has been studied…

Unit-vector fields $\nvec$ on a convex polyhedron $P$ subject to tangent boundary conditions provide a simple model of nematic liquid crystals in prototype bistable displays. The equilibrium and metastable configurations correspond to…

We apply a recently introduced method for global optimization to determine the ground state energy and configuration for model metallic clusters. The global minimum for a given N-atom cluster is found by following the damped dynamics of the…

This paper is aimed at emphasizing some of the main hints, constraints and difficulties we currently have in trying to understand how globular clusters formed, along with their multiple stellar generations, an issue that must be regarded as…

In this work we present a new methodology to study the structure of the configuration spaces of hard combinatorial problems. It consists in building the network that has as nodes the locally optimal configurations and as edges the weighted…