The 2023 Package has significant new features and enhancements including:
New Subpackage for Quantum Computing
Literature Search via 40+ Million Articles
Fly-through Molecule Animations
Custom Hamiltonians in Variational 2-RDM
Geometries from SMILES Formulas
Enhanced Editing of Molecular Plots
Explore Enhancements throughout the Package
The Maple Quantum Chemistry Toolbox provides a powerful, parallel platform for quantum chemistry calculations that directly integrates as an add-on package into the Maple 2023 environment. It is optimized for both cutting-edge research as well as education. The Toolbox includes density functional theory and wave function methods as well as advanced two-electron reduced density matrix (2-RDM) theories. It is available on Windows, MacOS, and Linux