Embedded divide-and-conquer algorithm on hierarchical real-space grids: parallel molecular dynamics simulation based on linear-scaling density functional theory-Reference-Cited by-同舟云学术

Embedded divide-and-conquer algorithm on hierarchical real-space grids: parallel molecular dynamics simulation based on linear-scaling density functional theory

Published:2005-05 Issue:3 Volume:167 Page:151-164
ISSN:0010-4655
Container-title:Computer Physics Communications
language:en
Short-container-title:Computer Physics Communications

Author:

Shimojo Fuyuki,Kalia Rajiv K.,Nakano Aiichiro,Vashishta Priya

Publisher

Elsevier BV

Subject

General Physics and Astronomy,Hardware and Architecture

Reference52 articles.

1. Simulating materials failure by using up to one billion atoms and the world's fastest computer: Brittle fracture

2. Recent advances in large-scale atomistic materials simulations

3. Scalable Atomistic Simulation Algorithms for Materials Research

4. Unified Approach for Molecular Dynamics and Density-Functional Theory

5. Linear scaling first-principles molecular dynamics with controlled accuracy

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