Related papers: Real-space grids and the Octopus code as tools for…
We present a set of efficient techniques in first-principles electronic-structure calculations utilizing the real-space finite-difference method. These techniques greatly reduce the overhead for performing integrals that involve…
We present a method for electronic structure calculations that retains all of the advantages of real space and addresses the inherent inefficiency of a regular grid, which has equal precision everywhere. The computations are carried out on…
Over the last years extraordinary advances in experimental and theoretical tools have allowed us to monitor and control matter at short time and atomic scales with a high-degree of precision. An appealing and challenging route towards…
This review discusses progress in efficient solvers which have as their foundation a representation in real space, either through finite-difference or finite-element formulations. The relationship of real-space approaches to linear-scaling…
Heliospheric plasmas require multi-scale and multi-physics considerations. On one hand, MHD codes are widely used for global simulations of the solar-terrestrial environments, but do not provide the most elaborate physical description of…
In this article, a new generic higher-order finite-element framework for massively parallel simulations is presented. The modular software architecture is carefully designed to exploit the resources of modern and future supercomputers.…
We present a real-space adaptive-coordinate method, which combines the advantages of the finite-difference approach with the accuracy and flexibility of the adaptive coordinate method. The discretized Kohn-Sham equations are written in…
The necessity for complex calculations in high-energy physics and large-scale data analysis has led to the development of computing grids, such as the ALICE computing grid at CERN. These grids outperform traditional supercomputers but…
The design of new control strategies for future energy systems can neither be directly tested in real power grids nor be evaluated based on only current grid situations. In this regard, extensive tests are required in laboratory settings…
Optimal exploitation of supercomputing resources for the evaluation of electrostatic forces remains a challenge in molecular dynamics simulations of very large systems. The most efficient methods are currently based on particle-mesh Ewald…
We describe a set of techniques for performing large scale ab initio calculations using multigrid accelerations and a real-space grid as a basis. The multigrid methods provide effective convergence acceleration and preconditioning on all…
In this proceedings we discuss the motivation, implementation details, and performance of a new physics code base called Grid. It is intended to be more performant, more general, but similar in spirit to QDP++\cite{QDP}. Our approach is to…
First quantized, grid-based methods for chemistry modelling are a natural and elegant fit for quantum computers. However, it is infeasible to use today's quantum prototypes to explore the power of this approach, because it requires a…
Smart grid systems are characterized by high complexity due to interactions between a traditional passive network and active power electronic components, coupled using communication links. Additionally, automation and information technology…
We present a simple and efficient technique in ab initio electronic-structure calculation utilizing real-space double-grid with a high density of grid points in the vicinity of nuclei. This technique promises to greatly reduce the overhead…
Grids - the collection of heterogeneous computers spread across the globe - present a new paradigm for the large scale problems in variety of fields. We discuss two representative cases in the area of condensed matter physics outlining the…
For robust testing of new technologies used in future, intelligent power and energy systems, realistic testing environments are needed. Due to the dimensions of a real-world environment a field-based installation is often not viable. More…
In this paper we provide an overview of a new framework for robot perception, real-world modelling, and navigation that uses a stochastic tesselated representation of spatial information called the Occupancy Grid. The Occupancy Grid is a…
Simulation especially real-time simulation have been widely used for the design and testing of real-time systems. The advancement of simulation tools has largely attributed to the evolution of computing technologies. With the reduced cost…
Simulation has become the evaluation method of choice for many areas of distributing computing research. However, most existing simulation packages have several limitations on the size and complexity of the system being modeled. Fine…