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Natural Sciences and Engineering

Matthias Ernzerhof

Propriétés des molécules, des surfaces, des solides et des nanostructures

Professeur titulaire

Faculté des arts et des sciences - Département de chimie

Roger-Gaudry, room C544

514 343-7636

matthias.ernzerhof@umontreal.ca

Secondary number: 514 343-7586 (Télécopieur)

Profile

Research expertise

Professor Ernzerhof and his group develop theories and computer programs based on quantum mechanics, to model chemical and physical properties of molecules, surfaces, solids and nanostructures.

Affiliations and responsabilities

Teaching and supervision

Student supervision

Theses and dissertation supervision (Papyrus Institutional Repository)

Projects

Research projects

2016 - 2022

Electronic structure theory: Approximations to the exchangecorrelation energy and models for electron transport

Lead researcher : Matthias Ernzerhof
Funding sources: CRSNG/Conseil de recherches en sciences naturelles et génie du Canada (CRSNG)
Grant programs: PVX20965-(RGP) Programme de subvention à la découverte individuelle ou de groupe
2001 - 2017

ELECTRONIC STRUCTURE TOEORY : ELECTRON TRANSPORT AND DENSITY FUNCTIONAL THEORY

Lead researcher : Matthias Ernzerhof
Funding sources: CRSNG/Conseil de recherches en sciences naturelles et génie du Canada (CRSNG)
Grant programs: PVX20965-(RGP) Programme de subvention à la découverte individuelle ou de groupe
2011 - 2015

ELECTRONIC STRUCTURE TOEORY: ELECTRON TRANSPORT AND DENSITY FUNCTIONAL THEORY

Lead researcher : Matthias Ernzerhof
2011 - 2013

CALCUL QUEBEC - INFRASTRUCTURE MAJEURE CENTRALE

Lead researcher : Normand Mousseau
Funding sources: Prima Québec
Grant programs:

Outreach

Publications and presentations

Areas of expertise

  • Theoretical chemistry
  • Computational chemistry
  • Electronic structure
  • Molecular electronics