VeloxChem: quantum chemistry towards pre-exascale and beyond
Material on VeloxChem in High Performance Computing settings
Electronic structure calculations
difficulty:
advanced
maturity:
stable
Overview
This lesson is for researchers and students already familiar with quantum chemistry that want to learn how to:
- Perform quantum chemical simulations of ground- and excited-state properties on large systems and with efficient use of HPC resources.
- Use an interactive, computationally-oriented approach to teaching quantum chemistry.
Learn More
Visit the lesson page to access the full content.