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Research
Latest papers
The rocky path of DFT into chemistry-Discussions at a symposium and reflections on a circular journey in honor of Axel Becke 1953-2025.
The Journal of chemical physics · 2026
Latest funding
- $57,333
Towards Sustainable Metal Extraction in the Mining Industry: Tailoring Glycine Leaching Technologies via Computation
NSERC · 2024 · Principal investigator
- $1,038,783
CREATE for Leaders in Energy Sustainability
NSERC · 2021 · Co-investigator
- $256,000
Intermolecular Chemistry from Density-Functional Theory
NSERC · 2021 · Principal investigator
1 publications.
The rocky path of DFT into chemistry-Discussions at a symposium and reflections on a circular journey in honor of Axel Becke 1953-2025.
Nordholm S, Baerends EJ, Burke K, Gill P, Gori-Giorgi P, Grimme S, Head-Gordon M, Helgaker T, Johnson E, Jones RO, Perdew J, Salahub D, Savin A, Scuseria G, Tozer DJ, Yang W, Boyd RJ, Schaefer HF
Towards Sustainable Metal Extraction in the Mining Industry: Tailoring Glycine Leaching Technologies via Computation
Principal investigators: Johnson, Erin ER
Keywords: computational chemistry; critical minerals; density-functional theory; environmental sustainability; glycine leaching technology; green chemistry; mining; organometallic complexes; precious metals
CREATE for Leaders in Energy Sustainability
Principal investigators: Freund, Michael MS
Keywords: advanced battery materials; electrolysis; energy grids; hqp training; internships; photovoltaics; socio-economic analysis; solar fuels; sustainable energy
Intermolecular Chemistry from Density-Functional Theory
Principal investigators: Johnson, Erin
Keywords: theoretical chemistry; computational chemistry; density-functional theory; london dispersion; van der waals interactions; molecular crystals; layered materials; interfaces; crystal structure prediction
Transient Kerr Microscopy System for Studying Spin Transport in Semiconducting Hybrid Perovskite Quantum Materials
Principal investigators: Hall, Kimberley
Computational screening of crystal co-formers
Principal investigators: Johnson, Erin
Density-Functional Theory for Intermolecular Chemistry
Principal investigators: Johnson, Erin
From CIHR, NSERC and SSHRC funding decisions: CIHR since 2008, NSERC since 1991 and SSHRC since 1998, including their latest published competition results.
Frequent collaborators
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