GPU‐Accelerated Large‐Scale Excited‐State Simulation Based on Divide‐and‐Conquer Time‐Dependent Density‐Functional Tight‐Binding-Reference-Cited by-同舟云学术

GPU‐Accelerated Large‐Scale Excited‐State Simulation Based on Divide‐and‐Conquer Time‐Dependent Density‐Functional Tight‐Binding

Published:2019-08-22 Issue:31 Volume:40 Page:2778-2786
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Yoshikawa Takeshi¹^ORCID,Komoto Nana²,Nishimura Yoshifumi¹,Nakai Hiromi¹²³^ORCID

Affiliation:

1. Waseda Research Institute for Science and Engineering, Waseda University, 3‐4‐1 Okubo, Shinjuku‐ku Tokyo 169‐8555 Japan

2. Department of Chemistry and BiochemistrySchool of Advanced Science and Engineering, Waseda University, 3‐4‐1 Okubo, Shinjuku‐ku Tokyo 169‐8555 Japan

3. Elements Strategy Initiative for Catalysts and Batteries (ESICB)Kyoto University, Katsura Kyoto 615‐8520 Japan

Funder

Japan Society for the Promotion of Science

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26053

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5. Acceleration of the GAMESS-UK electronic structure package on graphical processing units

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