Crossref journal-article
Royal Society of Chemistry (RSC)
Chemical Science (292)
Abstract

Understanding the relationship between the structure of light-harvesting systems and their excitation energy transfer properties is of fundamental importance in many applications including the development of next generation photovoltaics.

Bibliography

Häse, F., Kreisbeck, C., & Aspuru-Guzik, A. (2017). Machine learning for quantum dynamics: deep learning of excitation energy transfer properties. Chemical Science, 8(12), 8419–8426.

Authors 3
  1. Florian Häse (first)
  2. Christoph Kreisbeck (additional)
  3. Alán Aspuru-Guzik (additional)
References 66 Referenced 79
  1. 10.1038/emboj.2009.232 / EMBO J. by Caffarri (2009)
  2. 10.1146/annurev.arplant.59.032607.092759 / Annu. Rev. Plant Biol. by Baker (2008)
  3. 10.1039/C5SC04296H / Chem. Sci. by Kreisbeck (2016)
  4. 10.1073/pnas.1524999113 / Proc. Natl. Acad. Sci. U. S. A. by Amarnath (2016)
  5. 10.1038/nature21425 / Nature by Scholes (2017)
  6. 10.1038/nchem.1145 / Nat. Chem. by Scholes (2011)
  7. S. M. Blau , D. I. G.Bennett , C.Kreisbeck , G. D.Scholes and A.Aspuru-Guzik , arXiv:1704.05449, 2017 by Blau (2017)
  8. 10.1021/jz3012029 / J. Phys. Chem. Lett. by Kreisbeck (2012)
  9. 10.1038/nphys2515 / Nat. Phys. by Chin (2013)
  10. 10.1021/jp304649c / J. Phys. Chem. B by Christensson (2012)
  11. 10.1016/j.chempr.2016.11.002 / Chem by Dean (2016)
  12. 10.1038/nphys3017 / Nat. Phys. by Romero (2014)
  13. 10.1038/ncomms13742 / Nat. Commun. by De Sio (2016)
  14. 10.1038/nature08811 / Nature by Collini (2010)
  15. 10.1038/nature05678 / Nature by Engel (2007)
  16. 10.1038/nature03429 / Nature by Brixner (2005)
  17. 10.1021/acs.jpcb.5b03928 / J. Phys. Chem. B by Schulze (2015)
  18. 10.1088/1367-2630/14/2/023018 / New J. Phys. by Hein (2012)
  19. 10.1103/PhysRevLett.113.150403 / Phys. Rev. Lett. by Suess (2014)
  20. 10.1103/PhysRevE.84.041926 / Phys. Rev. E: Stat., Nonlinear, Soft Matter Phys. by Nalbach (2011)
  21. 10.1088/0953-4075/44/18/184012 / J. Phys. B: At., Mol. Opt. Phys. by Scholak (2011)
  22. 10.1038/ncomms3296 / Nat. Commun. by Mostarda (2013)
  23. 10.1039/C6CP00104A / Phys. Chem. Chem. Phys. by Baghbanzadeh (2016)
  24. 10.1021/acs.jpclett.6b01779 / J. Phys. Chem. Lett. by Baghbanzadeh (2016)
  25. 10.1021/acs.jpclett.7b00829 / J. Phys. Chem. Lett. by Knee (2017)
  26. 10.1021/jp961448i / J. Phys. Chem. by Leegwater (1996)
  27. V. May and O.Kühn , Charge and energy transfer dynamics in molecular systems , John Wiley & Sons , 2008 / Charge and energy transfer dynamics in molecular systems by May (2008)
  28. 10.1038/258573a0 / Nature by Fenna (1975)
  29. 10.1007/s11120-011-9675-8 / Photosynth. Res. by Müh (2012)
  30. 10.1021/ja7099826 / J. Am. Chem. Soc. by Raszewski (2008)
  31. 10.1529/biophysj.107.123935 / Biophys. J. by Raszewski (2008)
  32. 10.1063/1.3002335 / J. Chem. Phys. by Mohseni (2008)
  33. 10.1021/ct200126d / J. Chem. Theory Comput. by Kreisbeck (2011)
  34. 10.1088/1367-2630/11/3/033003 / New J. Phys. by Rebentrost (2009)
  35. 10.1063/1.3223548 / J. Chem. Phys. by Caruso (2009)
  36. 10.1088/1367-2630/12/8/085006 / New J. Phys. by Fassioli (2010)
  37. 10.1143/JPSJ.58.101 / J. Phys. Soc. Jpn. by Tanimura (1989)
  38. 10.1063/1.3155372 / J. Chem. Phys. by Ishizaki (2009)
  39. 10.1063/1.4766931 / J. Chem. Phys. by Tanimura (2012)
  40. C. Kreisbeck and T.Kramer , Exciton Dynamics Lab for Light-Harvesting Complexes (GPU-HEOM) , 2013 , http://nanohub.org/resources/16106 / Exciton Dynamics Lab for Light-Harvesting Complexes (GPU-HEOM) by Kreisbeck (2013)
  41. J. Snoek , H.Larochelle and R. P.Adams , NIPS , 2012 , pp. 2951–2959 / NIPS by Snoek (2012)
  42. 10.1038/ncomms14621 / Nat. Commun. by Ulissi (2017)
  43. 10.1021/ct400195d / J. Chem. Theory Comput. by Hansen (2013)
  44. 10.1103/PhysRevLett.98.146401 / Phys. Rev. Lett. by Behler (2007)
  45. 10.1039/C6SC05720A / Chem. Sci. by Smith (2017)
  46. 10.1063/1.4973380 / J. Chem. Phys. by Yao (2017)
  47. J. Gomes , B.Ramsundar , E. N.Feinberg and V.Pande , arXiv preprint arXiv:1703.10603, 2017 by Gomes (2017)
  48. 10.1039/C5SC04786B / Chem. Sci. by Häse (2016)
  49. 10.1088/1367-2630/15/9/095003 / New J. Phys. by Montavon (2013)
  50. F. Häse , C.Kreisbeck and A.Aspuru-Guzik , Deep Learning of Excitation Energy Transfer Properties at Redfield Accuracy , 2017 , https://github.com/FlorianHase/LearningExcitonTransfer / Deep Learning of Excitation Energy Transfer Properties at Redfield Accuracy by Häse (2017)
  51. 10.1073/pnas.0505371103 / Proc. Natl. Acad. Sci. U. S. A. by Holzwarth (2006)
  52. V. May and O.Kühn , Charge and Energy Transfer Dynamics in Molecular Systems , Wiley-VCH , Weinheim , 2004 / Charge and Energy Transfer Dynamics in Molecular Systems by May (2004)
  53. 10.1146/annurev.physchem.040808.090259 / Annu. Rev. Phys. Chem. by Cheng (2009)
  54. 10.1021/jz3012029 / J. Phys. Chem. Lett. by Kreisbeck (2012)
  55. 10.1021/ct500629s / J. Chem. Theory Comput. by Kreisbeck (2014)
  56. 10.1016/j.cplett.2004.07.036 / Chem. Phys. Lett. by Yan (2004)
  57. 10.1063/1.1850899 / J. Chem. Phys. by Xu (2005)
  58. 10.1143/JPSJ.74.3131 / J. Phys. Soc. Jpn. by Ishizaki (2005)
  59. 10.1063/1.3155372 / J. Chem. Phys. by Ishizaki (2009)
  60. 10.1529/biophysj.105.079483 / Biophys. J. by Adolphs (2006)
  61. 10.1021/acscentsci.7b00269 / ACS Cent. Sci. by Valleau (2017)
  62. D. Kingma and J.Ba , arXiv preprint arXiv:1412.6980, 2014 by Kingma (2014)
  63. L. C. W. Dixon and G. P.Szegö , Towards global optimisation , North-Holland Amsterdam , 1978 / Towards global optimisation by Dixon (1978)
  64. 10.1038/nmat3500 / Nat. Mater. by Jailaubekov (2013)
  65. 10.1038/ncomms3334 / Nat. Commun. by Vithanage (2013)
  66. 10.1021/jz200866s / J. Phys. Chem. Lett. by Hachmann (2011)
Dates
Type When
Created 7 years, 10 months ago (Oct. 23, 2017, 4:37 p.m.)
Deposited 1 year, 4 months ago (April 17, 2024, 3:59 p.m.)
Indexed 6 days, 8 hours ago (Aug. 23, 2025, 1:15 a.m.)
Issued 8 years, 7 months ago (Jan. 1, 2017)
Published 8 years, 7 months ago (Jan. 1, 2017)
Published Online 8 years, 7 months ago (Jan. 1, 2017)
Funders 2
  1. National Science Foundation
    Awards1
    1. CHE-1464862
  2. U.S. Department of Energy 10.13039/100000015

    Region: Americas

    gov (National government)

    Labels8
    1. Energy Department
    2. Department of Energy
    3. United States Department of Energy
    4. ENERGY.GOV
    5. US Department of Energy
    6. USDOE
    7. DOE
    8. USADOE
    Awards1
    1. DE-SC0001088

@article{H_se_2017, title={Machine learning for quantum dynamics: deep learning of excitation energy transfer properties}, volume={8}, ISSN={2041-6539}, url={http://dx.doi.org/10.1039/c7sc03542j}, DOI={10.1039/c7sc03542j}, number={12}, journal={Chemical Science}, publisher={Royal Society of Chemistry (RSC)}, author={Häse, Florian and Kreisbeck, Christoph and Aspuru-Guzik, Alán}, year={2017}, pages={8419–8426} }