Maple Quantum Chemistry Toolbox
Predict, explore, and design novel molecules in a powerful, easy-to-use environment. The Maple Quantum Chemistry Toolbox from RDMChem combines modern quantum chemistry software techniques with the mathematical power and usability of Maple to provide a comprehensive, easy-to-use environment for the parallel computation of the electronic energies and properties of molecules. With this toolbox, you can:
- Define molecules instantly from a database of more than 96 million molecules
- Run quantum computations with well-known electronic structure methods as well as recently developed advanced methods, enabling cutting-edge research
- Analyze molecular energies and properties through publication-quality, 2-D and 3-D plots and animations.
The toolbox includes density functional theory and wave function methods as well as advanced reduced density matrix (RDM) techniques. The RDM techniques, which are unique to the toolbox, are well-suited for strongly correlated molecules where they can accurately describe quantum effects that are difficult to treat by conventional methods.
The Quantum Chemistry Toolbox is designed and implemented by RDMChem LLC, which was founded to develop the next generation of computational chemistry software with applications to engineering, molecular biology, and physics.
Let us show you how to find the best solutions in your quantum chemistry projects
Introducing the Maple Quantum Chemistry Toolbox
User Case Study: Enlightening Chemistry Students at RWTH Aachen University
MaplePrimes Blog Post: Introducing the Maple Quantum Chemistry Toolbox
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Sample Application: An Introduction to Relativistic Quantum Mechanics
Sample Application: Quantum Mechanics of Infrared Spectroscopy