Matthias Ernzerhof

Matthias Ernzerhof is a Professor at the University of Montreal, affiliated with the Faculty of Arts and Science and the Department of Chemistry. His research focuses on developing quantum mechanical theories and computational methods to model molecular, solid-state, and nanostructure properties. He leads projects integrating density functional theory (DFT) with machine learning to address challenges in electronic structure calculations.

His work includes foundational contributions like the Perdew-Burke-Ernzerhof (PBE) functional, widely used in computational chemistry. He has secured funding from the Natural Sciences and Engineering Research Council of Canada (NSERC) for projects merging wavefunction theory, DFT, and machine learning.

Ernzerhof supervises doctoral and master’s students, including notable advisees such as Rodrigo Wang (PhD 2022/MSc 2016) and Hélène Antaya (PhD 2015). His research spans electronic transport, exchange-correlation functionals, and molecular electronics, with applications in material science and nanotechnology.

He teaches advanced chemistry courses like Chimie physique 1 and Chimie des matériaux, contributing to academic programs such as the PhD in Chemistry and Master’s in Chemistry at the University of Montreal.