Accelerating electrostatic interaction calculations with graphical processing units based on new developments of ewald method using non-uniform fast fourier transform-Reference-Cited by-同舟云学术

Accelerating electrostatic interaction calculations with graphical processing units based on new developments of ewald method using non-uniform fast fourier transform

Published:2015-11-19 Issue:3 Volume:37 Page:378-387
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Yang Sheng-Chun¹²,Wang Yong-Lei³⁴,Jiao Gui-Sheng¹,Qian Hu-Jun¹,Lu Zhong-Yuan¹

Affiliation:

1. Institute of Theoretical Chemistry, State Key Laboratory of Supramolecular Structure and Materials, Jilin University; Changchun 130023 China

2. School of Information Engineering, Northeast Dianli University; Jilin 132012 China

3. System and Component Design; Department of Machine Design; KTH Royal Institute of Technology; SE-100 44 Stockholm Sweden

4. Applied Physical Chemistry; Department of Chemistry; KTH Royal Institute of Technology; SE-100 44 Stockholm Sweden

Funder

National Science Foundation of China

National Basic Research Program of China

Jilin Province Science and Technology Development Plan

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference55 articles.

1. Electrostatic potentials and fields in infinite point charge lattices

2. The fast Fourier Poisson method for calculating Ewald sums

3. New splitting formulations for lattice summations

4. A less expensive Ewald lattice sum

5. Gaussian split Ewald: A fast Ewald mesh method for molecular simulation

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