Crossref journal-article
Elsevier BV
Computational Materials Science (78)
Bibliography

Qu, X., Jain, A., Rajput, N. N., Cheng, L., Zhang, Y., Ong, S. P., Brafman, M., Maginn, E., Curtiss, L. A., & Persson, K. A. (2015). The Electrolyte Genome project: A big data approach in battery materials discovery. Computational Materials Science, 103, 56–67.

Authors 10
  1. Xiaohui Qu (first)
  2. Anubhav Jain (additional)
  3. Nav Nidhi Rajput (additional)
  4. Lei Cheng (additional)
  5. Yong Zhang (additional)
  6. Shyue Ping Ong (additional)
  7. Miriam Brafman (additional)
  8. Edward Maginn (additional)
  9. Larry A. Curtiss (additional)
  10. Kristin A. Persson (additional)
References 77 Referenced 167
  1. 10.1038/scientificamerican1213-36 / Sci. Am. by Ceder (2013)
  2. 10.1063/1.4812323 / APL Mater. by Jain (2013)
  3. 10.1039/C3EE42756K / Energy Environ. Sci. by Hachmann (2014)
  4. 10.1021/jz200866s / J. Phys. Chem. Lett. by Hachmann (2011)
  5. 10.1016/j.commatsci.2012.02.005 / Comput. Mater. Sci. by Curtarolo (2012)
  6. 10.1007/s11837-013-0755-4 / JOM by Saal (2013)
  7. 10.1021/j100285a035 / J. Phys. Chem. by Pople (1987)
  8. 10.1002/ijch.197900005 / Isr. J. Chem. by Nelsen (1979)
  9. 10.1021/cm200679y / Chem. Mater. by Ong (2011)
  10. 10.1021/jp204401t / J. Phys. Chem. B by Shao (2011)
  11. 10.1021/jp5034257 / J. Phys. Chem. B by Zhang (2014)
  12. 10.1149/2.069403jes / J. Electrochem. Soc. by Maeshima (2014)
  13. 10.1149/2.074311jes / J. Electrochem. Soc. by Okoshi (2013)
  14. 10.1007/s00894-007-0233-4 / J. Mol. Model. by Stewart (2007)
  15. 10.1039/C4CP00547C / Phys. Chem. Chem. Phys. by Korth (2014)
  16. 10.1021/jz502319n / J. Phys. Chem. Lett. by Cheng (2015)
  17. 10.1002/wcms.1122 / Wiley Interdiscipl. Rev. Comput. Mol. Sci. by Krylov (2013)
  18. {'journal-title': 'Mol. Phys.', 'year': '2014', 'author': 'Shao', 'key': '10.1016/j.commatsci.2015.02.050_b0090'} / Mol. Phys. by Shao (2014)
  19. 10.1016/j.commatsci.2012.10.028 / Comput. Mater. Sci. by Ong (2013)
  20. A. Jain, S.P. Ong, D. Gunter, W. Chen, B. Medasani, X. Qu, et al., Fireworks: a dynamic workflow system designed for high-throughput applications, Concurr. Comput. Pract. Exp. (2014) (submitted for publication). https://pythonhosted.org/FireWorks/index.html. (10.1002/cpe.3505)
  21. {'year': '2009', 'series-title': 'Gaussian 09', 'author': 'Frisch', 'key': '10.1016/j.commatsci.2015.02.050_b0105'} / Gaussian 09 by Frisch (2009)
  22. 10.1016/j.cpc.2010.04.018 / Comput. Phys. Commun. by Valiev (2010)
  23. MongoDB Inc., MongoDB, 2014.
  24. D. Crockford, Google Tech Talks: JavaScript: The Good Parts, 2009. https://www.youtube.com/watch?v=hQVTIJBZook.
  25. 10.1107/S0567739476001873 / Acta Crystallogr. Sec. A by Kabsch (1976)
  26. 10.1186/1758-2946-5-7 / J. Cheminform. by Heller (2013)
  27. 10.1186/1758-2946-3-33 / J. Cheminform. by O’Boyle (2011)
  28. 10.1039/b801115j / Dalt. Trans. by Cordero (2008)
  29. 10.1149/1.1633765 / J. Electrochem. Soc. by Vollmer (2004)
  30. 10.1002/adfm.201200694 / Adv. Funct. Mater. by Wang (2013)
  31. 10.1002/aenm.201200322 / Adv. Energy Mater. by Brushett (2012)
  32. 10.1039/c2ee21977h / Energy Environ. Sci. by Zhang (2012)
  33. 10.1021/ct300900e / J. Chem. Theory Comput. by Marenich (2013)
  34. 10.1021/mp7000878 / Mol. Pharm. by Palmer (2007)
  35. 10.1021/ar800187p / Acc. Chem. Res. by Klamt (2009)
  36. 10.1021/ct200340x / J. Chem. Theory Comput. by Wang (2012)
  37. 10.1021/cr9904009 / Chem. Rev. by Tomasi (2005)
  38. {'journal-title': 'J. Phys. Chem. B', 'year': '2014', 'author': 'Zeller', 'key': '10.1016/j.commatsci.2015.02.050_b0190'} / J. Phys. Chem. B by Zeller (2014)
  39. 10.1021/cr960149m / Chem. Rev. by Cramer (1999)
  40. 10.1016/S0166-1280(98)00553-3 / J. Mol. Struct. Theochem by Tomasi (1999)
  41. 10.1016/j.electacta.2010.01.091 / Electrochim. Acta by Ong (2010)
  42. 10.1039/B517914A / Phys. Chem. Chem. Phys. by Shao (2006)
  43. 10.1103/PhysRevLett.77.3865 / Phys. Rev. Lett. by Perdew (1996)
  44. 10.1063/1.3382344 / J. Chem. Phys. by Grimme (2010)
  45. {'year': '2007', 'series-title': 'An Introduction to Aqueous Electrolyte Solutions', 'author': 'Wright', 'key': '10.1016/j.commatsci.2015.02.050_b0225'} / An Introduction to Aqueous Electrolyte Solutions by Wright (2007)
  46. J. Kennedy, R. Eberhart, Particle swarm optimization, in: Proc. ICNN’95 – Int. Conf. Neural Networks, IEEE, 1995, pp. 1942–1948. doi:10.1109/ICNN.1995.488968. (10.1109/ICNN.1995.488968)
  47. 10.1111/j.1747-0285.2007.00588.x / Chem. Biol. Drug Des. by Namasivayam (2007)
  48. 10.1016/j.renene.2014.01.011 / Renew. Energy by Sharafi (2014)
  49. 10.1007/s11721-007-0002-0 / Swarm Intell. by Poli (2007)
  50. 10.1016/j.eswa.2013.10.032 / Expert Syst. Appl. by Wang (2014)
  51. {'key': '10.1016/j.commatsci.2015.02.050_b0255', 'first-page': '100', 'article-title': 'Stratified Sampling', 'author': 'Särndal', 'year': '2003'} / Stratified Sampling by Särndal (2003)
  52. {'year': '1996', 'series-title': 'An Introduction to Genetic Algorithms', 'author': 'Mitchell', 'key': '10.1016/j.commatsci.2015.02.050_b0260'} / An Introduction to Genetic Algorithms by Mitchell (1996)
  53. 10.1007/s00894-012-1667-x / J. Mol. Model. by Stewart (2013)
  54. James J.P. Stewart, Stewart Computational Chemistry, MOPAC2012, 2014.
  55. 10.1021/ct3004645 / J. Chem. Theory Comput. by Maia (2012)
  56. 10.1016/0032-3861(95)96841-U / Polymer / Contact ion pair formation and ether oxygen coordination in the polymer electrolytes M[N(CF3SO2)2]2PEOn for M=Mg, Ca, Sr and Ba by Bakker (1995)
  57. 10.1021/jp053344q / J. Phys. Chem. B by Wahab (2005)
  58. {'journal-title': 'Phys. Chem. Chem. Phys.', 'year': '2014', 'author': 'Lapidus', 'key': '10.1016/j.commatsci.2015.02.050_b0290'} / Phys. Chem. Chem. Phys. by Lapidus (2014)
  59. 10.1021/cr00031a007 / Chem. Rev. by van Duijneveldt (1994)
  60. 10.1063/1.2997349 / J. Chem. Phys. by Balabin (2008)
  61. SciFinder, Chemical Abstracts Service, Columbus, OH, 2014.
  62. Reaxys, Reed Elsevier Properties SA, New York, 2014.
  63. 10.1063/1.476538 / J. Chem. Phys. by Curtiss (1998)
  64. 10.1073/pnas.0901093106 / Proc. Natl. Acad. Sci. USA by Zhang (2009)
  65. 10.1021/jp050536c / J. Phys. Chem. A by Zhao (2005)
  66. 10.1063/1.464304 / J. Chem. Phys. by Becke (1993)
  67. 10.1007/s00214-007-0310-x / Theor. Chem. Acc. by Zhao (2007)
  68. 10.1063/1.478522 / J. Chem. Phys. by Adamo (1999)
  69. 10.1063/1.1626543 / J. Chem. Phys. by Staroverov (2003)
  70. 10.1002/jcc.20495 / J. Comput. Chem. by Grimme (2006)
  71. 10.1103/PhysRev.46.618 / Phys. Rev. by Møller (1934)
  72. 10.1063/1.443164 / J. Chem. Phys. by Purvis (1982)
  73. The Concise Encyclopedia of Statistics, Springer New York, New York, NY, 2008 http://dx.doi.org/10.1007/978-0-387-32833-1. (10.1007/978-0-387-32833-1)
  74. 10.1021/cr200107z / Chem. Rev. by Cohen (2012)
  75. A.A. Granovsky, Firefly Version 8.0.0, 2013.
  76. 10.1021/ja01280a022 / J. Am. Chem. Soc. by Hammett (1937)
  77. 10.1021/j100142a004 / J. Phys. Chem. by Bayly (1993)
Dates
Type When
Created 10 years, 4 months ago (April 1, 2015, 7:08 a.m.)
Deposited 2 years, 1 month ago (July 21, 2023, 3:17 p.m.)
Indexed 2 weeks ago (Aug. 7, 2025, 4:55 p.m.)
Issued 10 years, 2 months ago (June 1, 2015)
Published 10 years, 2 months ago (June 1, 2015)
Published Print 10 years, 2 months ago (June 1, 2015)
Funders 3
  1. U.S. Department of Energy, Basic Energy Science, Joint Center for Energy Storage Research 10.13039/100006151 Basic Energy Sciences

    Region: Americas

    gov (National government)

    Labels6
    1. Office of Basic Energy Sciences
    2. DOE Office of Basic Energy Sciences
    3. US Department of Energy's Basic Energy Sciences
    4. DOE Basic Energy Sciences
    5. Department of Energy Basic Energy Sciences Program
    6. BES
    Awards1
    1. DE-AC02-06CH11357
  2. Office of Science of the U.S. Department of Energy 10.13039/100006132 Office of Science

    Region: Americas

    gov (National government)

    Labels8
    1. U.S. DOE Office of Science
    2. DOE Office of Science
    3. DOE's Office of Science
    4. Department of Energy's (DOE's) Office of Science
    5. The DOE Office of Science
    6. U.S. Department of Energy Office of Science
    7. U.S. Dept. of Energy Office of Science
    8. SC
    Awards1
    1. DE-AC02-05CH11231
  3. BES DOE 10.13039/100006151 Basic Energy Sciences

    Region: Americas

    gov (National government)

    Labels6
    1. Office of Basic Energy Sciences
    2. DOE Office of Basic Energy Sciences
    3. US Department of Energy's Basic Energy Sciences
    4. DOE Basic Energy Sciences
    5. Department of Energy Basic Energy Sciences Program
    6. BES
    Awards1
    1. EDCBEE

@article{Qu_2015, title={The Electrolyte Genome project: A big data approach in battery materials discovery}, volume={103}, ISSN={0927-0256}, url={http://dx.doi.org/10.1016/j.commatsci.2015.02.050}, DOI={10.1016/j.commatsci.2015.02.050}, journal={Computational Materials Science}, publisher={Elsevier BV}, author={Qu, Xiaohui and Jain, Anubhav and Rajput, Nav Nidhi and Cheng, Lei and Zhang, Yong and Ong, Shyue Ping and Brafman, Miriam and Maginn, Edward and Curtiss, Larry A. and Persson, Kristin A.}, year={2015}, month=jun, pages={56–67} }