This profile is built from public research funding records (CIHR, NSERC and SSHRC) and PubMed. We have not imported them from a Université de Montréal directory, so their courses may be missing. Find their university profile.
Research
Latest papers
Rhodium(ii)-catalyzed C-H aminations using N-mesyloxycarbamates: reaction pathway and by-product formation.
Chemical science · 2019
Synthesis of oxazolidinones: rhodium-catalyzed C-H amination of N-mesyloxycarbamates.
Organic & biomolecular chemistry · 2017 · senior author
Simple orbital theory for the molecular electrician.
The Journal of chemical physics · 2011 · first author
Latest funding
- $108,000
Electronic structure theory: Merging wave function theory, density functional theory, and machine learning.
NSERC · 2022 · Principal investigator
- $366,000
Electronic structure theory: Approximations to the exchange-correlation energy and models for electron transport
NSERC · 2016 · Principal investigator
- $225,000
Electronic structure theory: electron transport and density functional theory
NSERC · 2011 · Principal investigator
8 publications.
Rhodium(ii)-catalyzed C-H aminations using N-mesyloxycarbamates: reaction pathway and by-product formation.
Azek E, Khalifa M, Bartholoméüs J, Ernzerhof M, Lebel H
Synthesis of oxazolidinones: rhodium-catalyzed C-H amination of N-mesyloxycarbamates.
Lebel H, Mamani Laparra L, Khalifa M, Trudel C, Audubert C, Szponarski M, Dicaire Leduc C, Azek E, Ernzerhof M
Simple orbital theory for the molecular electrician.
Ernzerhof M
Reversibility and transport properties of dithienylethene photoswitches.
Zhuang M, Ernzerhof M
Bond dissociation and correlation effects in molecular electronic devices.
Goker A, Goyer F, Ernzerhof M
A simple model of molecular electronic devices and its analytical solution.
Ernzerhof M
Density functional theory of complex transition densities.
Ernzerhof M
Side-chain effects in molecular electronic devices.
Ernzerhof M, Zhuang M, Rocheleau P
Electronic structure theory: Merging wave function theory, density functional theory, and machine learning.
Principal investigators: Ernzerhof, Matthias
Keywords: electronic structure theory; density functional theory; exchange-correlation energy; wave function theory; machine learning; artificial intelligence; molecular electronic devices; electron transport
Electronic structure theory: Approximations to the exchange-correlation energy and models for electron transport
Principal investigators: Ernzerhof, Matthias
Electronic structure theory: electron transport and density functional theory
Principal investigators: Ernzerhof, Matthias
Density functional theory and theory of molecular electronic devices
Principal investigators: Ernzerhof, Matthias
Workstations for quantum dynamics and molecular electronics
Principal investigators: Carrington, Jr, Tucker
Density functional theory: development and application
Principal investigators: Ernzerhof, Matthias
Density functional theory and its application in chemistry
Principal investigators: Ernzerhof, Matthias
From CIHR, NSERC and SSHRC funding decisions: CIHR since 2008, NSERC since 1991 and SSHRC since 1998, including their latest published competition results.
A short, specific email works best. This draft uses one of their recent papers; replace the parts in brackets with your own details before sending.