TeraChem : A graphical processing unit ‐accelerated electronic structure package for large‐scale ab initio molecular dynamics-Reference-Cited by-同舟云学术

TeraChem : A graphical processing unit ‐accelerated electronic structure package for large‐scale ab initio molecular dynamics

Published:2020-07-26 Issue:2 Volume:11 Page:
ISSN:1759-0876
Container-title:WIREs Computational Molecular Science
language:en
Short-container-title:WIREs Comput Mol Sci

Author:

Seritan Stefan¹²^ORCID,Bannwarth Christoph¹²^ORCID,Fales Bryan S.¹²^ORCID,Hohenstein Edward G.¹²^ORCID,Isborn Christine M.³,Kokkila‐Schumacher Sara I. L.⁴^ORCID,Li Xin⁵^ORCID,Liu Fang⁶^ORCID,Luehr Nathan⁷^ORCID,Snyder James W.⁸,Song Chenchen⁹¹⁰^ORCID,Titov Alexey V.¹¹,Ufimtsev Ivan S.¹²^ORCID,Wang Lee‐Ping¹³^ORCID,Martínez Todd J.¹²^ORCID

Affiliation:

1. Department of Chemistry and the PULSE Institute Stanford University Stanford California USA

2. SLAC National Accelerator Laboratory Menlo Park California USA

3. Department of Chemistry University of California Merced Merced California USA

4. IBM Thomas J. Watson Research Center Yorktown Heights New York USA

5. Division of Theoretical Chemistry and Biology, School of Engineering Sciences in Chemistry, Biotechnology and Health KTH Royal Institute of Technology Stockholm Sweden

6. Department of Chemical Engineering Massachusetts Institute of Technology Cambridge Massachusetts USA

7. NVIDIA Santa Clara California USA

8. Adobe San Jose California USA

9. Department of Physics University of California Berkeley Berkeley California USA

10. Molecular Foundry Lawrence Berkeley National Laboratory Berkeley California USA

11. Intel Corporation Santa Clara California USA

12. Department of Structural Biology Stanford University School of Medicine Stanford California USA

13. Department of Chemistry University of California Davis Davis California USA

Funder

Boeing

Deutsche Akademie der Naturforscher Leopoldina - Nationale Akademie der Wissenschaften

Office of Science

Publisher

Wiley

Subject

Materials Chemistry,Computational Mathematics,Physical and Theoretical Chemistry,Computer Science Applications,Biochemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/wcms.1494

Reference149 articles.

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