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 dynamic...
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.