Alain St-Amant
Alain St-Amant
Full Professor
Vice-Provost, Academic Affairs

GNN 170B
(613) 562-5800 ext. 6003

Department of Chemistry and Biomolecular Sciences


Dr. St-Amant’s research team focuses on the development of accurate algorithms specifically designed to treat large systems. They are therefore actively working on creating linear scaling and QM/MM algorithms that are adaptable to massively parallel computer architectures. Novel molecular dynamics and Monte Carlo algorithms, so as to take thermal effects into account, are also being developed.

Research interests

  • Physical and Theoretical Chemistry
  • Density functional theory
  • Coupled potential methods
  • Linear scaling algorithms