Atomistic non-adiabatic dynamics of the LH2 complex with a GPU-accelerated ab initio exciton model-Reference-Cited by-同舟云学术

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Atomistic non-adiabatic dynamics of the LH2 complex with a GPU-accelerated ab initio exciton model

Published:2017 Issue:23 Volume:19 Page:14924-14936
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Sisto Aaron¹²³⁴⁵,Stross Clem⁶⁷⁸⁹,van der Kamp Marc W.⁶⁷⁸⁹¹⁰^ORCID,O’Connor Michael⁶⁷⁸⁹¹¹,McIntosh-Smith Simon¹¹⁷⁹,Johnson Graham T.¹²¹³¹⁴⁴¹⁵,Hohenstein Edward G.¹⁶¹⁷¹⁸⁴,Manby Fred R.⁶⁷⁸⁹,Glowacki David R.⁶⁷⁸⁹¹¹^ORCID,Martinez Todd J.¹²³⁴⁵^ORCID

Affiliation:

1. PULSE Institute and Department of Chemistry

2. Stanford University

3. Stanford

4. USA

5. SLAC National Accelerator Laboratory

6. School of Chemistry

7. University of Bristol

8. Bristol

9. UK

10. School of Biochemistry

11. Department of Computer Science

12. California Institute for Quantitative Biosciences (QB3)

13. University of California

14. San Francisco

15. Department of Bioengineering and Therapeutic Sciences

16. Department of Chemistry and Biochemistry

17. City College of New York

18. New York

Abstract

We present GPU-accelerated ab initio molecular dynamics simulations of nonadiabatic dynamics in the LH2 complex in full atomistic detail.

Funder

National Science Foundation

Engineering and Physical Sciences Research Council

U.S. Department of Energy

Royal Society

U.S. Department of Defense

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP00492C

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5. The architecture and function of the light-harvesting apparatus of purple bacteria: from single molecules to in vivo membranes

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