CP2K is an open source electronic structure and molecular dynamics software package to
perform atomistic simulations of solid-state, liquid, molecular, and biological systems. It is …

Abstract System identification, sensitivity analysis, optimization and control, require a large
number of model evaluations. Accurate simulators are too slow for these applications. Fast …

A computing system includes computational memory and digital combinational circuitry
operatively coupled with the computational memory. The computational memory is …

Abstract We describe Parallel-Projection Block Conjugate Gradient (pp-bcg), a distributed
iterative solver for the solution of dense and symmetric positive definite linear systems with …

In this paper, a mixed precision variant of the GMRES (m) method using FP64 and FP32 is
investigated. Through numerical experiments for various test matrices and different settings …

Mixed precision numerical methods using low precision computing have attracted much
attention under recent computational hardware trends. In this research, we focus on solving …

In scientific computing, the acceleration of atomistic computer simulations by means of
custom hardware is finding ever-growing application. A major limitation, however, is that the …

Numerical linear algebra has wide applications in many aspects of life and is at the heart of
important computational aspects of practical application problems. Numerical methods, often …

Approximate Computing is an emerging computer architecture paradigm which allows to
trade off machine accuracy for energy efficiency. Initial studies have shown that Approximate …

Rapid development of information technology makes our environment become smarter and
massive high performance computers are providing powerful computing for that. Graphics …