相关论文: Revisiting the Complexity of Finding Globally Mini…
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…
The binding of clusters of metal nanoparticles is partly electrostatic. We address difficulties in calculating the electrostatic energy when high charging energies limit the total charge to a single quantum, entailing unequal potentials on…
The global optimization of atomic clusters represents a fundamental challenge in computational chemistry and materials science due to the exponential growth of local minima with system size (i.e., the curse of dimensionality). We introduce…
We analyze the structure diagram for binary clusters of Lennard-Jones particles by means of a global optimization approach for a large range of cluster sizes, compositions and interaction energies and present a publicly accessible database…
There is compelling observational evidence that globular clusters (GCs) are quite complex objects. A growing body of photometric results indicate that the evolutionary sequences are not simply isochrones in the observational plane -as…
Determination of \emph{optimal} arrangements of $N$ particles on a sphere is a well-known problem in physics. A famous example of such is the Thomson problem of finding equilibrium configurations of electrical charges on a sphere. More…
We present a universal method for the large-scale prediction of the atomic structure of clusters. Our algorithm performs the joint evolutionary search for all clusters in a given area of the compositional space and takes advantage of…
Good a-priori bounds on the smallest pairwise distance $r_{\rm{{min}}}(\mbox{LJ}_N^{\rm{gmin}})$ for a three-dimensional (3D) Lennard-Jones $N$-body cluster of globally minimal energy can significantly reduce the computational search space…
We present the first simulation capable of resolving the structure of neutrino clustering on Mpc scales. The method combines grid- and particle-based methods and achieves very good accuracy on both small and large scales, while keeping CPU…
The search for specific signals in ultra-relativistic heavy-light ion collisions addressing intrinsic geometric features of nuclei may open a new window to low energy nuclear structure. We discuss specifically the phenomenon of…
Hu, Kriz and May recently reexamined ideas implicit in Priddy's elegant homotopy theoretic construction of the Brown-Peterson spectrum at a prime p. They discussed May's notions of nuclear complexes and of cores of spaces, spectra, and…
We predict general trends for surface segregation in a binary metal cluster based on the difference between the atomic properties of the constituent elements. Considering the attractive and repulsive contributions of the cohesive energy of…
We generalize the small scale dynamics of the universe by taking into account models with an equation of state which evolves with time, and provide a complete formulation of the cluster virialization attempting to address the nonlinear…
We explore the appearance of light clusters at high densities of collapsing stellar cores. Special attention is paid to the unstable isotope H4, which was not included in previous studies. The importance of light clusters in the calculation…
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…
The structure of nanoclusters is complex to describe due to their noncrystallinity, even though bonding and packing constraints limit the local atomic arrangements to only a few types. A computational scheme is presented to extract…
We introduce and discuss the concept of \textit{arrangement}, traditionally found in the context of chemical reactions and few-body rearrangement collisions, in the general context of an $N$-body quantum system. We show that the ability for…
Light clusters (mass number $A \leq 4$) in nuclear matter at subsaturation densities are described using a quantum statistical approach. In addition to self-energy and Pauli-blocking, effects of continuum correlations are taken into account…
We address the problem of minimal actuator placement in linear systems so that the volume of the set of states reachable with one unit or less of input energy is lower bounded by a desired value. First, following the recent work of…
Adaptive quantum design identifies the best broken-symmetry configurations of atoms and molecules that enable a desired target function response. In this work, numerical optimization is used to design atomic clusters with specified…