Erin R. Johnson

Professor, Herzberg-Becke Chair in Theoretical Chemistry


Related Information

Mailing Address: 
Department of Chemistry
Dalhousie University
6274 Coburg Road
P.O. Box 15000
Halifax NS B3H 4R2
Research Topics:
  • Theoretical chemistry
  • Computational chemistry
  • Quantum chemistry
  • Density functional theory
  • Intermolecular interactions
  • Physical chemistry
  • Materials


  • BSc: Carleton University
  • PhD: Queen's University
  • PDF: Duke University

Research interests:

Development and applications of density-functional theory for study of electronic structure. Current applications include non-covalent interactions, molecular crystals, layered solids, electrides, and organometallic complexes.

Selected awards and honours

  • 2021 Steacie Price
  • 2020 Rutherford Memorial Medal in Chemistry
  • 2019 E.W.R. Steacie Memorial Fellowship
  • 2018 Dirac MedalĀ 
  • 2018 Tom Ziegler Award
  • 2017-2018 Faculty of Science Killam Prize

Selected publications:

  • A. J. A. Price, R. A. Mayo, A. Otero de la Roza, and E. R. Johnson, Accurate and efficient polymorph energy ranking with XDM-corrected hybrid DFT. CrystEngComm (2023).
  • A. J. A. Price, A. Otero de la Roza, and E. R. Johnson, XDM-corrected hybrid DFT with numerical atomic orbitals predicts molecular crystal energetics with unprecedented accuracy. Chem. Sci. (2023).
  • R. A. Mayo, A. Otero de la Roza, and E. R. Johnson, Development and assessment of an improved powder-diffraction-based method for molecular crystal structure similarity. CrystEngComm. 24, 8326-8338 (2022).
  • K. R. Bryenton, A. A. Adeleke, S. G. Dale, and E. R. Johnson, Delocalization Error: The Greatest Outstanding Challenge in Density-Functional Theory. Wiley Interdiscip. Rev. Comput. Mol. Sci. e1631 (2022).
  • A. J. A. Price, K. R. Bryenton, and E. R. Johnson, Requirements for an Accurate Dispersion-Corrected Density Functional. J. Chem. Phys. 154, 230902 (2021).
  • F. Kaadou, J. Maassen, and E. R. Johnson, Improved Charge Transport across a Metal-MoS$_2$ Interface through Insertion of a Layered Ca2N Electride. J. Phys. Chem. C 125, 11656-11664 (2021).