Related papers: Coupled cluster theory in materials science
We present a closest separable state to cluster states. We start by considering linear cluster chains and extend our method to cluster states that can be used as a universal resource in quantum computation. We reproduce known results for…
With rapidly increasing data, clustering algorithms are important tools for data analytics in modern research. They have been successfully applied to a wide range of domains; for instance, bioinformatics, speech recognition, and financial…
We present a detailed description of the generalized geometric cluster algorithm for the efficient simulation of continuum fluids. The connection with well-known cluster algorithms for lattice spin models is discussed, and an explicit full…
Motivated by the increasing availability of low- and mixed-precision arithmetic on modern hardware, we develop mixed-precision variants of Lloyd's algorithm for k-means clustering. The main ingredient is a family of mixed-precision kernels…
The use of graphics processing units for scientific computations is an emerging strategy that can significantly speed up various different algorithms. In this review, we discuss advances made in the field of computational physics, focusing…
A well-known cluster expansion, which leads to virial expansion for the free energy of low density systems, is modified in such a way that it becomes applicable to the description of condensed state of matter. To this end, the averaging of…
Various applications of quantum algebraic techniques in nuclear structure physics and in molecular physics are briefly reviewed and a recent application of these techniques to the structure of atomic clusters is discussed in more detail.
Identifying the atomic structure and properties of solid hydrogen under high pressures is a long-standing problem of high-pressure physics with far-reaching significance in planetary and materials science. Determining the…
Correlations in interacting many-particle systems can lead to the formation of clusters, in particular bound states and resonances. Systematic quantum statistical approaches allow to combine the nuclear statistical equilibrium description…
A simple three-dimensional model of a fluid whose constituent particles interact via a short range attractive and long range repulsive potential is used to model the aggregation into large spherical-like clusters made up of hundreds of…
Thermodynamics of clusterized matter is studied in the framework of statistical models with non-interacting cluster degrees of freedom. At variance with the analytical Fisher model, exact Metropolis simulation results indicate that the…
A finite element method is presented to compute time harmonic microwave fields in three dimensional configurations. Nodal-based finite elements have been coupled with an absorbing boundary condition to solve open boundary problems. This…
Density functional theory (DFT)-based simulations of materials have first-principles accuracy, but are very computationally expensive. For simulating various properties of multi-component alloys, the cluster expansion (CE) technique has…
We show how to simulate the clustering of rich clusters of galaxies using a technique based on the Zel'dovich approximation. This method well reproduces the spatial distribution of clusters obtainable from full N-body simulations at a…
Non-unitary theories are commonly seen in the classical simulations of quantum systems. Among these theories, the method of moments of coupled-cluster equations (MMCCs) and the ensuing classes of the renormalized coupled-cluster (CC)…
We developed a method for measuring the similarity between materials, focusing on specific physical properties. The obtained information can be utilized to understand the underlying mechanisms and to support the prediction of the physical…
A quantum computer promises efficient processing of certain computational tasks that are intractable with classical computer technology. While basic principles of a quantum computer have been demonstrated in the laboratory, scalability of…
The paper develops a general framework for constrained clustering which is based on the close connection of geometric clustering and diagrams. Various new structural and algorithmic results are proved (and known results generalized and…
We describe a framework for encoding cluster combinatorics using categorical methods. We give a definition of an abstract cluster structure, which captures the essence of cluster mutation at a tropical level and show that cluster algebras,…
The cluster expansion formalism used in materials science is reconstructed on an axiomatic basis with the aims of clarifying underlying concepts and improving computational procedures, and without using conventional cluster functions.…