Related papers: Combined shared and distributed memory ab-initio c…
Nowadays, high performance computing is becoming more and more important in different fields research and industry, such as medical imaging and diagnostics, mathematics as well as oil exploration. It refers to intensive computing in some…
We present a complete hyperentangled Bell state analysis protocol for two-photon four-qubit states which are simultaneously entangled in the polarization and time-bin degrees of freedom. The 16 hyperentangled states can be unambiguously…
The kernel polynomial method allows to sample overall spectral properties of a quantum system, while sparse diagonalization provides accurate information about a few important states. We present a method combining these two approaches…
In this paper, we consider numerical approximations of a hydrodynamically coupled phase field diblock copolymer model, in which the free energy contains a kinetic potential, a gradient entropy, a Ginzburg-Landau double well potential, and a…
We introduce an optimisation method for variational quantum algorithms and experimentally demonstrate a 100-fold improvement in efficiency compared to naive implementations. The effectiveness of our approach is shown by obtaining…
In this paper, we study numerical methods for solving the coupled Allen-Cahn/Cahn-Hilliard system associated with a free energy functional of logarithmic type. To tackle the challenge posed by the special free energy functional, we propose…
This paper investigates co-scheduling algorithms for processing a set of parallel applications. Instead of executing each application one by one, using a maximum degree of parallelism for each of them, we aim at scheduling several…
This paper considers parallel Gr\"obner bases algorithms on distributed memory parallel computers with multi-core compute nodes. We summarize three different Gr\"obner bases implementations: shared memory parallel, pure distributed memory…
Computing many-body ground state energies and resolving electronic structure calculations are fundamental problems for fields such as quantum chemistry or condensed matter. Several quantum computing algorithms that address these problems…
Operator splitting methods tailored to coupled linear port-Hamiltonian systems are developed. We present algorithms that are able to exploit scalar coupling, as well as multirate potential of these coupled systems. The obtained algorithms…
Multilevel/multigrid methods is one of the most popular approaches for solving a large sparse linear system of equations, typically, arising from the discretization of partial differential equations. One critical step in the…
Linear-scaling electronic-structure techniques, also called O(N) techniques, rely heavily on the multiplication of sparse matrices, where the sparsity arises from spatial cut-offs. In order to treat very large systems, the calculations must…
Correlated ab-initio ground-state calculations, using relativistic energy-consistent pseudopotentials, are performed for six II-VI semiconductors. Valence ($ns,np$) correlations are evaluated using the coupled cluster approach with single…
Calculating interactions or correlations between pairs of particles is typically the most time-consuming task in particle simulation or correlation analysis. Straightforward implementations using a double loop over particle pairs have…
The aim of this paper is to develop an approach to visualizations that benefits from distributed computing. Three schemes of process distribution are considered: parallel, pipeline, and expanding pipeline computations. Expanding pipeline…
Partitioning graphs into blocks of roughly equal size such that few edges run between blocks is a frequently needed operation when processing graphs on a parallel computer. When a topology of a distributed system is known an important task…
The control of polarization, an essential property of light, is of wide scientific and technological interest. The general problem of generating arbitrary time-varying states of polarization (SOP) has always been mathematically formulated…
The aim of hybrid methods in simulations is to communicate regions with disparate time and length scales. Here, a fluid described at the atomistic level within an inner region P is coupled to an outer region C described by continuum fluid…
A novel reduced-scaling, general-order coupled-cluster approach is formulated by exploiting hierarchical representations of many-body tensors, combined with the recently suggested formalism of scale-adaptive tensor algebra. Inspired by the…
A fully parallel version of the contact dynamics (CD) method is presented in this paper. For large enough systems, 100% efficiency has been demonstrated for up to 256 processors using a hierarchical domain decomposition with dynamic load…