Related papers: Solving the Bethe-Salpeter equation on massively p…
Multi-objective integer optimization problems are hard to solve, mainly because the number of nondominated images is often extremely large. We present the first exact algorithm, called PEA, that fully utilizes the multicore architecture of…
Nested parallelism exists in scientific codes that are searching multi-dimensional spaces. However, implementations of nested parallelism often have overhead and load balance issues. The Orbital Analysis code we present exhibits a sparse…
We present an efficient way to solve the Bethe-Salpeter equation (BSE), a model for the computation of absorption spectra in molecules and solids that includes electron-hole excitations. Standard approaches to construct and diagonalize the…
The Bethe-Salpeter equation (BSE) combined with the Green's function GW method has successfully transformed into a robust computational tool to describe light-matter interactions and excitation spectra for molecules, solids, and materials…
We have developed a gravity solver based on combining the well developed Particle-Mesh (PM) method and TREE methods. It is designed for and has been implemented on parallel computer architectures. The new code can deal with tens of millions…
Nowadays, several industrial applications are being ported to parallel architectures. These applications take advantage of the potential parallelism provided by multiple core processors. Many-core processors, especially the GPUs(Graphics…
Today's world of scientific software for High Energy Physics (HEP) is powered by x86 code, while the future will be much more reliant on accelerators like GPUs and FPGAs. The portable parallelization strategies (PPS) project of the High…
Parallel computing has turned out to be the enabling technology to solve complex physical systems. However, the transition from shared memory, vector computers to massively parallel, distributed memory systems and, recently, to hybrid…
We explore the use of the Cell Broadband Engine (Cell/BE for short) for combinatorial optimization applications: we present a parallel version of a constraint-based local search algorithm that has been implemented on a multiprocessor…
Numerically solving ordinary differential equations (ODEs) is a naturally serial process and as a result the vast majority of ODE solver software are serial. In this manuscript we developed a set of parallelized ODE solvers using…
One of the major performance and scalability bottlenecks in large scientific applications is parallel reading and writing to supercomputer I/O systems. The usage of parallel file systems and consistency requirements of POSIX, that all the…
In this paper, we study and implement the structural iterative eigensolvers for the large-scale eigenvalue problem in the Bethe-Salpeter equation (BSE) based on the reduced basis approach via low-rank factorizations in generating matrices,…
We propose a software architecture where SAT solvers act as a shared network resource for distributed business applications. There can be multiple parallel SAT solvers running either on dedicated hardware (a multi-processor system or a…
The trend towards highly parallel multi-processing is ubiquitous in all modern computer architectures, ranging from handheld devices to large-scale HPC systems; yet many applications are struggling to fully utilise the multiple levels of…
Supercomputers worldwide provide the necessary infrastructure for groundbreaking research. However, most supercomputers are not designed equally due to different desired figure of merit, which is derived from the computational bounds of the…
Pauli Correlation Encoding (PCE) is as a qubit-efficient variational approach to combinatorial optimization problems. The method offers a polynomial reduction in qubit count and a super-polynomial suppression of barren plateaus. Here, we…
Optimally hybrid numerical solvers were constructed for massively parallel generalized eigenvalue problem (GEP).The strong scaling benchmark was carried out on the K computer and other supercomputers for electronic structure calculation…
In order to realize the significant potential of optical materials such as metal halides, computational techniques which give accurate optical properties are needed, which can work hand-in-hand with experiments to generate high efficiency…
In recent years, leveraging parallel and distributed computational resources has become essential to solve problems of high computational cost. Bayesian optimization (BO) has shown attractive results in those expensive-to-evaluate problems…
Parallel computation is widely employed in scientific researches, engineering activities and product development. Parallel program writing itself is not always a simple task depending on problems solved. Large-scale scientific computing,…