Related papers: Solving the Bethe-Salpeter equation on massively p…
Solving dense Hermitian eigenproblems arranged in a sequence with direct solvers fails to take advantage of those spectral properties which are pertinent to the entire sequence, and not just to the single problem. When such features take…
As supercomputers become larger with powerful Graphics Processing Unit (GPU), traditional direct eigensolvers struggle to keep up with the hardware evolution and scale efficiently due to communication and synchronization demands.…
We present a massively parallel, GPU-accelerated implementation of the Bethe-Salpeter equation (BSE) for the calculation of the vertical excitation energies (VEEs) and optical absorption spectra of condensed and molecular systems, starting…
As modern massively parallel clusters are getting larger with beefier compute nodes, traditional parallel eigensolvers, such as direct solvers, struggle keeping the pace with the hardware evolution and being able to scale efficiently due to…
We present a high-performance solver for dense skew-symmetric matrix eigenvalue problems. Our work is motivated by applications in computational quantum physics, where one solution approach to solve the so-called Bethe-Salpeter equation…
High-quality ordinary differential equation (ODE) solver libraries have a long history, going back to the 1970s. Over the past several years we have implemented, on top of the PETSc linear and nonlinear solver package, a new…
The Bethe-Salpeter equation (BSE) can provide an accurate description of low-energy optical spectra of insulating crystals - even when excitonic effects are important. However, due to high computational costs it is only possible to include…
Optical properties of materials related to light absorption and scattering are explained by the excitation of electrons. The Bethe-Salpeter equation is the state-of-the-art approach to describe these processes from first principles (ab…
Elliptic partial differential equations must be solved numerically for many problems in numerical relativity, such as initial data for every simulation of merging black holes and neutron stars. Existing elliptic solvers can take multiple…
The Bethe-Salpeter equation (BSE) is currently the state of the art in the description of neutral electron excitations in both solids and large finite systems. It is capable of accurately treating charge-transfer excitations that present…
The Bethe-Salpeter equation (BSE) formalism is steadily asserting itself as a new efficient and accurate tool in the ensemble of computational methods available to chemists in order to predict optical excitations in molecular systems. In…
We present an energy-specific Bethe-Salpeter equation (BSE) implementation for efficient core and valence optical spectrum calculations. In energy-specific BSE, high-lying excitation energies are obtained by constructing trial vectors and…
We present an efficient implementation of the Bethe-Salpeter equation (BSE) method for obtaining core-level spectra including x-ray absorption (XAS), x-ray emission (XES), and both resonant and non-resonant inelastic x-ray scattering…
In this paper, we present a novel parallel augmented subspace method and build a package Parallel Augmented Subspace Eigensolver (PASE) for solving large scale eigenvalue problems by the massively parallel finite element discretization.…
Performance has always been a hot topic in computing. However, the viable ways to achieve it have taken many forms in the different moments of computing history. Today, technological limits have pushed the adoption of increasingly parallel…
Parallel SAT solvers are becoming mainstream. Their performance has made them win the past two SAT competitions consecutively and are in the limelight of research and industry. The problem is that it is not known exactly what is needed to…
The homogeneous Bethe-Salpeter equation (hBSE), describing a bound system in a genuinely relativistic quantum-field theory framework, was solved for the first time by using a D-Wave quantum annealer. After applying standard techniques of…
We describe an all-electron implementation of the Bethe-Salpeter equation (BSE) for the calculation of optical absorption spectra in the full-potential linearized augmented-plane-wave (FLAPW) method. So far, FLAPW implementations have…
We analyze the performance of two strategies in solving the structured eigenvalue problem deriving from the Bethe-Salpeter equation (BSE) in condensed matter physics. The BSE matrix is constructed with the Yambo code, and the two strategies…
We investigate the energy efficiency of a library designed for parallel computations with sparse matrices. The library leverages high-performance, energy-efficient Graphics Processing Unit (GPU) accelerators to enable large-scale scientific…