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Erin Johnson

April 09, 2024

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.

Erin Johnson
Born
Ottawa
Alma materCarleton University
Queen's University
AwardsSteacie Prize
Rutherford Memorial Medal
CIC Tom Ziegler Award
WATOC Dirac Medal (2018)
Scientific career
InstitutionsDuke University
University of California, Merced
Dalhousie University
ThesisA density-functional theory including dispersion interactions (2007)
Doctoral advisorAxel D. Becke
Websitehttps://erin-r-johnson.github.io

Education and early career edit

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.[2][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 edit

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 edit

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 edit

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 edit

References edit

  1. ^ Becke, Axel D.; Johnson, Erin R. (2006-06-14). "A simple effective potential for exchange". The Journal of Chemical Physics. 124 (22): 221101. Bibcode:2006JChPh.124v1101B. doi:10.1063/1.2213970. ISSN 0021-9606. PMID 16784253.
  2. ^ a b Johnson, Erin R. (2017-01-01). "The Exchange-Hole Dipole Moment Dispersion Model". pp. 169–194. doi:10.1016/B978-0-12-809835-6.00006-2. ISBN 9780128098356. {{cite book}}: |journal= ignored (help); Missing or empty |title= (help)
  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. Bibcode:2005JChPh.123b4101J. doi:10.1063/1.1949201. ISSN 0021-9606. PMID 16050735.
  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. Bibcode:2005JChPh.122o4104B. doi:10.1063/1.1884601. ISSN 0021-9606. PMID 15945622.
  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. Bibcode:2006JChPh.124a4104B. doi:10.1063/1.2139668. ISSN 0021-9606. PMID 16409021.
  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. Bibcode:2006JChPh.124q4104J. doi:10.1063/1.2190220. ISSN 0021-9606. PMID 16689564.
  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. Bibcode:2007JChPh.127o4108B. doi:10.1063/1.2795701. ISSN 0021-9606. PMID 17949133.
  8. ^ "XDM - Johnson Group Wiki". schooner.chem.dal.ca. Retrieved 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. Bibcode:2007JChPh.127l4108B. doi:10.1063/1.2768530. ISSN 0021-9606. PMID 17902894.
  10. ^ a b Division, Government of Canada, Natural Sciences and Engineering Research Council of Canada, Communications (2016-06-28). "NSERC - André Hamer - Past Winner - Erin R. Johnson". www.nserc-crsng.gc.ca. Retrieved 2018-11-13.{{cite web}}: CS1 maint: multiple names: authors list (link)
  11. ^ "User:ERJohnson - Johnson Group Wiki". schooner.chem.dal.ca. Retrieved 2018-11-13.
  12. ^ "NSF Award Search: Award#0911119 - Development and Applications of Density Functional Methods for Large Systems". www.nsf.gov. Retrieved 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. Bibcode:2011JPCA..115...76E. doi:10.1021/jp109280y. ISSN 1089-5639. PMID 21141988.
  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" (PDF). The Journal of Chemical Physics. 133 (16): 164107. Bibcode:2010JChPh.133p4107J. doi:10.1063/1.3497190. hdl:10161/3345. ISSN 1089-7690. PMID 21033775.
  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. doi:10.1021/ja100936w. ISSN 0002-7863. PMC 2864795. PMID 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. doi:10.1021/ct100641a. ISSN 1549-9618. PMC 3080048. PMID 21516178.
  17. ^ "Nciplot - Johnson Group Wiki". schooner.chem.dal.ca. Retrieved 2018-11-13.
  18. ^ Cnr (2015-02-01). "Canadian Chemistry Faculty Positions: Case Closed: Erin Johnson Hired by Dalhousie University". Canadian Chemistry Faculty Positions. Retrieved 2018-11-13.
  19. ^ "Dalhousie chemist awarded top Canadian science prize". Retrieved 2018-11-13.
  20. ^ "Erin R. Johnson". faculty1.ucmerced.edu. Retrieved 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" (PDF). Angewandte Chemie International Edition. 57 (45): 14906–14910. doi:10.1002/anie.201809381. ISSN 1433-7851. PMID 30248221. S2CID 205407868.
  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. Bibcode:2018JChPh.148u1101B. doi:10.1063/1.5039742. ISSN 0021-9606. PMID 29884028.
  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. Bibcode:2017PCCP...1927343D. doi:10.1039/C7CP04825D. ISSN 1463-9076. PMID 28971195.
  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. Bibcode:2017JChPh.146u1105J. doi:10.1063/1.4985084. ISSN 0021-9606. PMID 28595421.
  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. doi:10.1021/acsnano.7b03540. hdl:10023/11625. ISSN 1936-0851. PMID 28696680.
  26. ^ https://scholar.google.ca/citations?user=57ER3oQAAAAJ&hl=en%7CErin R Johnson - Google Scholar
  27. ^ Density Functionals - Thermochemistry | Erin R. Johnson | Springer. Topics in Current Chemistry. Springer. 2015. ISBN 9783319196916.
  28. ^ "At the centre of the world: Dal chemist celebrated for building the fundamental science of her discipline". www.dal.ca. Retrieved 2023-04-29.
  29. ^ "The RSC Presents the 2020 Medal and Award Winners | The Royal Society of Canada". rsc-src.ca. Retrieved 2020-09-15.
  30. ^ "E.W.R. Steacie Memorial Fellowship". www.nserc-crsng.gc.ca. 6 May 2019. Retrieved 2019-05-09.
  31. ^ "Dirac - medal". watoc.net. Retrieved 2018-11-13.
  32. ^ "Tom Ziegler Award | The Chemical Institute of Canada". www.cheminst.ca. Retrieved 2018-11-13.
  33. ^ "Killam Awards". Dalhousie University. Retrieved 2018-11-13.
  34. ^ "Taking it easy – all the way to the top". Carleton University. Retrieved 2018-11-13.

April 09, 2024
erin, johnson, canadian, computational, chemist, holds, herzberg, becke, chair, dalhousie, university, works, density, functional, theory, intermolecular, interactions, bornottawaalma, matercarleton, university, queen, universityawardssteacie, prizerutherford,. 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 Erin JohnsonBornOttawaAlma materCarleton University Queen s UniversityAwardsSteacie PrizeRutherford Memorial MedalCIC Tom Ziegler Award WATOC Dirac Medal 2018 Scientific careerInstitutionsDuke University University of California Merced Dalhousie UniversityThesisA density functional theory including dispersion interactions 2007 Doctoral advisorAxel D BeckeWebsitehttps erin r johnson github io Contents 1 Education and early career 2 Independent academic career 3 Research 4 Published work 5 Awards 6 ReferencesEducation and early career editJohnson 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 2 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 editJohnson 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 editIn 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 editAs 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 edit2021 Steacie Prize 28 2020 Rutherford Memorial Medal in Chemistry 29 2019 NSERC E W R Steacie Memorial Fellowship 30 2018 Dirac Medal of the World Association of Theoretical and Computational Chemists 31 2018 Chemical Institute of Canada Tom Ziegler Award 32 2017 Dalhousie University Faculty of Science Killam Prize 33 2006 NSERC Andre Hamer Postgraduate Prize 10 2004 Carleton University Governor General s Medal Undergraduate Level 34 References edit Becke Axel D Johnson Erin R 2006 06 14 A simple effective potential for exchange The Journal of Chemical Physics 124 22 221101 Bibcode 2006JChPh 124v1101B doi 10 1063 1 2213970 ISSN 0021 9606 PMID 16784253 a b Johnson Erin R 2017 01 01 The Exchange Hole Dipole Moment Dispersion Model pp 169 194 doi 10 1016 B978 0 12 809835 6 00006 2 ISBN 9780128098356 a href Template Cite book html title Template Cite book cite book a journal ignored help Missing or empty title help 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 Bibcode 2005JChPh 123b4101J doi 10 1063 1 1949201 ISSN 0021 9606 PMID 16050735 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 Bibcode 2005JChPh 122o4104B doi 10 1063 1 1884601 ISSN 0021 9606 PMID 15945622 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 Bibcode 2006JChPh 124a4104B doi 10 1063 1 2139668 ISSN 0021 9606 PMID 16409021 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 Bibcode 2006JChPh 124q4104J doi 10 1063 1 2190220 ISSN 0021 9606 PMID 16689564 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 Bibcode 2007JChPh 127o4108B doi 10 1063 1 2795701 ISSN 0021 9606 PMID 17949133 XDM Johnson Group Wiki schooner chem dal ca Retrieved 2018 11 13 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 Bibcode 2007JChPh 127l4108B doi 10 1063 1 2768530 ISSN 0021 9606 PMID 17902894 a b Division Government of Canada Natural Sciences and Engineering Research Council of Canada Communications 2016 06 28 NSERC Andre Hamer Past Winner Erin R Johnson www nserc crsng gc ca Retrieved 2018 11 13 a href Template Cite web html title Template Cite web cite web a CS1 maint multiple names authors list link User ERJohnson Johnson Group Wiki schooner chem dal ca Retrieved 2018 11 13 NSF Award Search Award 0911119 Development and Applications of Density Functional Methods for Large Systems www nsf gov Retrieved 2018 11 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 Bibcode 2011JPCA 115 76E doi 10 1021 jp109280y ISSN 1089 5639 PMID 21141988 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 PDF The Journal of Chemical Physics 133 16 164107 Bibcode 2010JChPh 133p4107J doi 10 1063 1 3497190 hdl 10161 3345 ISSN 1089 7690 PMID 21033775 Johnson Erin R Keinan Shahar Mori Sanchez Paula Contreras Garcia Julia Cohen Aron J Yang Weitao 2010 05 12 Revealing Noncovalent Interactions Journal of the American Chemical Society 132 18 6498 6506 doi 10 1021 ja100936w ISSN 0002 7863 PMC 2864795 PMID 20394428 Contreras Garcia 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 doi 10 1021 ct100641a ISSN 1549 9618 PMC 3080048 PMID 21516178 Nciplot Johnson Group Wiki schooner chem dal ca Retrieved 2018 11 13 Cnr 2015 02 01 Canadian Chemistry Faculty Positions Case Closed Erin Johnson Hired by Dalhousie University Canadian Chemistry Faculty Positions Retrieved 2018 11 13 Dalhousie chemist awarded top Canadian science prize Retrieved 2018 11 13 Erin R Johnson faculty1 ucmerced edu Retrieved 2018 11 13 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 PDF Angewandte Chemie International Edition 57 45 14906 14910 doi 10 1002 anie 201809381 ISSN 1433 7851 PMID 30248221 S2CID 205407868 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 Bibcode 2018JChPh 148u1101B doi 10 1063 1 5039742 ISSN 0021 9606 PMID 29884028 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 Bibcode 2017PCCP 1927343D doi 10 1039 C7CP04825D ISSN 1463 9076 PMID 28971195 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 Bibcode 2017JChPh 146u1105J doi 10 1063 1 4985084 ISSN 0021 9606 PMID 28595421 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 doi 10 1021 acsnano 7b03540 hdl 10023 11625 ISSN 1936 0851 PMID 28696680 https scholar google ca citations user 57ER3oQAAAAJ amp hl en 7CErin R Johnson Google Scholar Density Functionals Thermochemistry Erin R Johnson Springer Topics in Current Chemistry Springer 2015 ISBN 9783319196916 At the centre of the world Dal chemist celebrated for building the fundamental science of her discipline www dal ca Retrieved 2023 04 29 The RSC Presents the 2020 Medal and Award Winners The Royal Society of Canada rsc src ca Retrieved 2020 09 15 E W R Steacie Memorial Fellowship www nserc crsng gc ca 6 May 2019 Retrieved 2019 05 09 Dirac medal watoc net Retrieved 2018 11 13 Tom Ziegler Award The Chemical Institute of Canada www cheminst ca Retrieved 2018 11 13 Killam Awards Dalhousie University Retrieved 2018 11 13 Taking it easy all the way to the top Carleton University Retrieved 2018 11 13 Retrieved from https en wikipedia org w index php title Erin Johnson amp oldid 1193532917, wikipedia, wiki, book, books, library,

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