Erin Johnson Explained

Erin Johnson
Birth Place:Ottawa
Workplaces:Duke University
University of California, Merced
Dalhousie University
Alma Mater:Carleton University
Queen's University
Doctoral Advisor:Axel D. Becke
Thesis Title:A density-functional theory including dispersion interactions
Thesis Url:http://hdl.handle.net/1974/926
Thesis Year:2007
Awards:Steacie Prize
Rutherford Memorial Medal
CIC Tom Ziegler Award
WATOC Dirac Medal (2018)
Website:https://erin-r-johnson.github.io

Erin Johnson is a Canadian computational chemist. She holds the Herzberg–Becke Chair at Dalhousie University. She works on density functional theory and intermolecular interactions.

Education and early career

Johnson is from Ottawa, Canada. She completed her B.Sc. Hons. in Integrated Science (chemistry/mathematics) at Carleton University in 2004. She earned her PhD at Queen's University in 2007, working with Axel D. Becke. In 2006, they demonstrated a simple potential for exchange energies; the Becke–Johnson potential.[1] She developed the exchange-hole dipole moment dispersion model (XDM), which describes intermolecular interactions.[2] [3] [4] [5] [6] [7] The model is a density functional model based on second-order perturbation theory, and uses the interaction of induced dipoles to model dispersion.[8] [9] Her PhD focussed on improving the accuracy and efficiency of computational chemistry.[10] She was a Natural Sciences and Engineering Research Council postdoctoral fellow at Duke University with Yang Weitao from 2007 to 2010.[11] [12] They developed fractional spin density functional theory to describe open-shell singlet diradicals.[13] She looked at the energy splitting between spin-states, connecting them to the ionisation potential and electron affinity.[14]

A major contribution of her postdoctoral research was the development of the non-covalent interaction index.[15] This index describes the non-covalent interactions in a range of chemical applications, and is fast to compute, making it able to handle large systems.[16] The non-covalent interaction index can be plotted in real space, which allows the inter- and intra-molecular interactions present in the system to be visualised.[17]

Independent academic career

Johnson joined the faculty of the School of Natural Sciences at the University of California, Merced as an assistant professor in 2010. In February 2015, she relocated to the Department of Chemistry at Dalhousie University as the Herzberg–Becke Chair in Theoretical Chemistry.[18] [19] She was promoted to Full Professor at Dalhousie in 2018.

Research

In her independent career, Johnson has continued to develop and apply methods for London dispersion interactions using density functional theory. These applications include molecular crystals, organometallic complexes, and layered solids.[20]

Johnson has applied her dispersion-corrected density functional theory methods to crystal structure prediction. Her group successfully predicted the most stable polymorph of a variety of molecular crystals using dispersion-corrected density functional theory.[21] She has worked on charge-transfer complexes and how charge is transferred between electron donors (such as NH3, C2H4) and electron acceptors (F2, Cl2).[22] She studied 2D electrides, alkalides and transition-metal diatomics.[23] [24] In 2017, she collaborated with Kim Jelfs to predict the relative stabilities of polymorphs of aza-6-helicene from first principles.[25]

Published work

As of 2023, she has authored more than 100 peer-reviewed articles, which have been cited more than 24,000 times.[26] She published the book Density Functionals with Springer in 2015.[27]

Awards

Notes and References

  1. Becke. Axel D.. Johnson. Erin R.. 2006-06-14. A simple effective potential for exchange. The Journal of Chemical Physics. 124. 22. 221101. 10.1063/1.2213970. 16784253. 2006JChPh.124v1101B . 0021-9606.
  2. Book: 2017-01-01. The Exchange-Hole Dipole Moment Dispersion Model. Non-Covalent Interactions in Quantum Chemistry and Physics. 169–194. 10.1016/B978-0-12-809835-6.00006-2. Johnson. Erin R.. 9780128098356.
  3. Johnson. Erin R.. Becke. Axel D.. 2005-07-08. A post-Hartree–Fock model of intermolecular interactions. The Journal of Chemical Physics. 123. 2. 024101. 10.1063/1.1949201. 16050735. 2005JChPh.123b4101J . 0021-9606.
  4. Becke. Axel D.. Johnson. Erin R.. 2005-04-15. Exchange-hole dipole moment and the dispersion interaction. The Journal of Chemical Physics. 122. 15. 154104. 10.1063/1.1884601. 15945622. 2005JChPh.122o4104B . 0021-9606.
  5. Becke. Axel D.. Johnson. Erin R.. 2006-01-07. Exchange-hole dipole moment and the dispersion interaction: High-order dispersion coefficients. The Journal of Chemical Physics. 124. 1. 014104. 10.1063/1.2139668. 16409021. 2006JChPh.124a4104B . 0021-9606.
  6. Johnson. Erin R.. Becke. Axel D.. 2006-05-07. A post-Hartree-Fock model of intermolecular interactions: Inclusion of higher-order corrections. The Journal of Chemical Physics. 124. 17. 174104. 10.1063/1.2190220. 16689564. 2006JChPh.124q4104J . 0021-9606.
  7. Becke. Axel D.. Johnson. Erin R.. 2007-10-21. Exchange-hole dipole moment and the dispersion interaction revisited. The Journal of Chemical Physics. 127. 15. 154108. 10.1063/1.2795701. 17949133. 2007JChPh.127o4108B . 0021-9606.
  8. Web site: XDM - Johnson Group Wiki. schooner.chem.dal.ca. 2018-11-13.
  9. Becke. Axel D.. Johnson. Erin R.. 2007-09-28. A unified density-functional treatment of dynamical, nondynamical, and dispersion correlations. The Journal of Chemical Physics. 127. 12. 124108. 10.1063/1.2768530. 17902894. 2007JChPh.127l4108B . 0021-9606.
  10. Web site: NSERC - André Hamer - Past Winner - Erin R. Johnson. Division. Government of Canada, Natural Sciences and Engineering Research Council of Canada, Communications. www.nserc-crsng.gc.ca. 2018-11-13. 2016-06-28.
  11. Web site: User:ERJohnson - Johnson Group Wiki. schooner.chem.dal.ca. 2018-11-13.
  12. Web site: NSF Award Search: Award#0911119 - Development and Applications of Density Functional Methods for Large Systems. www.nsf.gov. 2018-11-13.
  13. Ess. Daniel H.. Johnson. Erin R.. Hu. Xiangqian. Yang. Weitao. 2011-01-13. Singlet−Triplet Energy Gaps for Diradicals from Fractional-Spin Density-Functional Theory. The Journal of Physical Chemistry A. 115. 1. 76–83. 10.1021/jp109280y. 21141988. 2011JPCA..115...76E . 1089-5639.
  14. Johnson. Erin R.. Yang. Weitao. Davidson. Ernest R.. 2010-10-28. Spin-state splittings, highest-occupied-molecular-orbital and lowest-unoccupied-molecular-orbital energies, and chemical hardness. The Journal of Chemical Physics. 133. 16. 164107. 10.1063/1.3497190. 1089-7690. 21033775. 2010JChPh.133p4107J . 10161/3345. free.
  15. Johnson. Erin R.. Keinan. Shahar. Mori-Sánchez. Paula. Contreras-García. Julia. Cohen. Aron J.. Yang. Weitao. 2010-05-12. Revealing Noncovalent Interactions. Journal of the American Chemical Society. 132. 18. 6498–6506. 10.1021/ja100936w. 0002-7863. 2864795. 20394428.
  16. Contreras-García. Julia. Johnson. Erin R.. Keinan. Shahar. Chaudret. Robin. Piquemal. Jean-Philip. Beratan. David N.. Yang. Weitao. 2011-03-08. NCIPLOT: a program for plotting non-covalent interaction regions. Journal of Chemical Theory and Computation. 7. 3. 625–632. 10.1021/ct100641a. 1549-9618. 3080048. 21516178.
  17. Web site: Nciplot - Johnson Group Wiki. schooner.chem.dal.ca. 2018-11-13.
  18. Web site: Canadian Chemistry Faculty Positions: Case Closed: Erin Johnson Hired by Dalhousie University. Cnr. 2015-02-01. Canadian Chemistry Faculty Positions. 2018-11-13.
  19. News: Dalhousie chemist awarded top Canadian science prize. 2018-11-13.
  20. Web site: Erin R. Johnson. faculty1.ucmerced.edu. 2018-11-13.
  21. LeBlanc. Luc M.. Dale. Stephen G.. Taylor. Christopher R.. Becke. Axel D.. Day. Graeme M.. Johnson. Erin R.. 2018-10-09. Pervasive Delocalisation Error Causes Spurious Proton Transfer in Organic Acid-Base Co-Crystals. Angewandte Chemie International Edition. 57. 45. 14906–14910. 10.1002/anie.201809381. 30248221. 205407868 . 1433-7851.
  22. Becke. Axel D.. Dale. Stephen G.. Johnson. Erin R.. 2018-06-07. Communication: Correct charge transfer in CT complexes from the Becke'05 density functional. The Journal of Chemical Physics. 148. 21. 211101. 10.1063/1.5039742. 29884028. 2018JChPh.148u1101B . 0021-9606. free.
  23. Dale. Stephen G.. Johnson. Erin R.. 2017. The ionic versus metallic nature of 2D electrides: a density-functional description. Phys. Chem. Chem. Phys.. 19. 40. 27343–27352. 10.1039/C7CP04825D. 28971195. 2017PCCP...1927343D . 1463-9076.
  24. Johnson. Erin R.. Becke. Axel D.. 2017-06-07. Communication: DFT treatment of strong correlation in 3d transition-metal diatomics. The Journal of Chemical Physics. 146. 21. 211105. 10.1063/1.4985084. 28595421. 2017JChPh.146u1105J . 0021-9606. free.
  25. Yang. Ying. Rice. Beth. Shi. Xingyuan. Brandt. Jochen R.. Correa da Costa. Rosenildo. Hedley. Gordon J.. Smilgies. Detlef-M.. Frost. Jarvist M.. Samuel. Ifor. D. W.. 2017-07-19. Emergent Properties of an Organic Semiconductor Driven by its Molecular Chirality. ACS Nano. 11. 8. 8329–8338. 10.1021/acsnano.7b03540. 28696680. 1936-0851. free. 10023/11625. free.
  26. https://scholar.google.ca/citations?user=57ER3oQAAAAJ&hl=en|Erin R Johnson - Google Scholar
  27. Book: Density Functionals - Thermochemistry Erin R. Johnson Springer. 9783319196916. Springer. 2015. Topics in Current Chemistry.
  28. Web site: At the centre of the world: Dal chemist celebrated for building the fundamental science of her discipline. 2023-04-29. www.dal.ca.
  29. Web site: The RSC Presents the 2020 Medal and Award Winners The Royal Society of Canada. 2020-09-15. rsc-src.ca.
  30. Web site: E.W.R. Steacie Memorial Fellowship. www.nserc-crsng.gc.ca. 6 May 2019 . 2019-05-09.
  31. Web site: Dirac - medal. watoc.net. 2018-11-13.
  32. Web site: Tom Ziegler Award The Chemical Institute of Canada. www.cheminst.ca. 2018-11-13.
  33. Web site: Killam Awards. Dalhousie University. 2018-11-13.
  34. Web site: Taking it easy – all the way to the top. Carleton University. 2018-11-13.

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