In the past decade, Graphics Processing Units have played an important role in the field of
high-performance computing and they still advance new fields such as IoT, autonomous …

An important and computationally demanding part of molecular dynamics simulations is the
calculation of long-range electrostatic interactions. Today, the prevalent method to compute …

We describe our implementation of a parallel fast multipole method for evaluating potentials
for discrete and continuous source distributions. The first requires summation over the …

The use of graphics processing units for scientific computations is an emerging strategy that
can significantly speed up various algorithms. In this review, we discuss advances made in …

The present work attempts to integrate the independent efforts in the fast N-body community
to create the fastest N-body library for many-core and heterogenous architectures. Focus is …

High performance fast multipole method is crucial for the numerical simulation of many
physical problems. In a previous study, we have shown that task‐based fast multipole …

This paper presents techniques for generating very large finite‐element matrices on a
multicore workstation equipped with several graphics processing units (GPUs). To overcome …

To evaluate electrostatics interactions, molecular dynamics (MD) simulations rely on Particle
Mesh Ewald (PME), an O (N log (N)) algorithm that uses Fast Fourier Transforms (FFTs) or …

The solution of a constant-coefficient elliptic Partial Differential Equation (PDE) can be
computed using an integral transform: A convolution with the fundamental solution of the …

There has been a large increase in the amount of work on hierarchical low-rank
approximation methods, where the interest is shared by multiple communities that previously …