Maple Quantum Chemistry Toolbox 2024
Solutions
RDMChem is developing innovative solutions for industry, government, and academic research as well as education.
Videos
Introducing the Maple Quantum Chemistry Package
Getting Started with the Maple Quantum Chemistry Package
Technologies
Modern molecules and materials have a breathtaking range of complexity and diversity. Many of these molecules have strongly correlated electrons that are computationally expensive to treat by traditional computational chemistry methodologies. At RDMChem, we are designing efficient implementations of computational chemistry methods that can describe molecules and materials, even if their electrons are strongly correlated, at a polynomial computational cost.
We are also developing the technologies to implement these efficient, parallel electronic structure methods from within the scientific environments of computer algebra systems with their unique combination of numeric, symbolic, and visualization capabilities. In the Maple Quantum Chemistry Package, for example, we implement density functional, wave function, and reduced density matrix methods in Maple through efficient, compiled C and Fortran kernels. Click on superbenzene to the right for more details.
Blog
Blog from MaplePrimes on the Origin of the Quantum Chemistry Package
