Regina Computational Chemistry Research Laboratory

University of Regina, Regina, Saskatchewan
What the facility does

Conducts quantum chemistry calculations and molecular dynamics simulations.

Areas of expertise

We perform supercomputer modelling at the molecular level, studying electrical conductivity of molten salts and ionic liquids, and petroleum refining mechanisms with low-temperature catalysts.

Research services

Quantum chemistry calculations, molecular simulations

Sectors of application
  • Clean technology
  • Energy

Specialized lab



Laboratory for Computational Discovery

2010 Ciaratech Shared-memory Supercomputer

72 CPU cores and 144 Gb RAM of shared memory


2010 Ciaratech Supercomputer Cluster

420 CPU cores (12 per node) and 24 Gb RAM per node of distributed memory



Computational chemistry software



Molecular simulation software



Computational chemistry software



Laboratory of Computational Discovery

Cracking the bonds video: A computational chemistry research team at the University of Regina investigates the process of petroleum cracking at a molecular level.