Qcore and Envision on a MacBook

Physics-based quantum simulations

  • Efficiently perform a full range of electronic structure calculations and simulations
  • Run DFT, fast semi-empirical methods, robust geometry optimization, ab initio dynamics, and properties
  • State-of-the-art parallel algorithms provide unbeatable efficiency and robustness
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  • Energy, gradient, and hessian for key methods
  • Static molecular properties and NMR
  • Robust geometry and transition-state optimization
  • Classical and quantum dynamics

Ready to get started?

Check out our tutorials and documentation.

Qcore is free for academic use

Qcore can be freely downloaded and used for academic research. Instructions on how to install it and how to get started can be found in the tutorial.