Computational Workstation

• Dual CPUs: Intel S.Xeon E5-2650V4
• RAM: 64 GB
• Hard Drive: 256 GB Solid State Drive + 2 TB Hard Drive             
• Operation System: Microsoft Windows 10 Pro 64 bit 

VASP (Vienna Ab initio Simulation Package)

• Theoretical Simulation (DFT)
• Molecular and crystal geometry
• Optical properties
• Chemical reaction pathways
• Spectra (UV/Vis, IR, Raman, NMR, EELS, ELNES)

Compute Canada Cluster

• Access to Graham & Cedar compute cluster
• 50+ core-years
• 10 TB Cloud Storage