Introducing InQuanto v2.0

InQuanto v2.0 is released today and brings together a range of new features that continue to make it the right choice for computational chemists on quantum computers. See a summary of key technical updates below.

Efficiency

• Workflow improvements in protocol classes for more efficient small test calculations - up to 10x speed-ups in some state vector calculations.
• Symmetry-exploiting integral operator classes for efficient handling of the two-electron integral for a chemistry Hamiltonian using ~50% less memory.
• Optimized computables for n-particle reduced density matrices.

Algorithms

• Wide range of restructured ansatze to support multi-reference calculations to enable new types of variational quantum algorithms - with improved custom ansatz development tools.
• Generalized variational quantum solvers to perform imaginary and real-time evolution simulations.
• Added Fragment Molecular Orbital (FMO) embeeding method.
• New QRDM-NEVPT2 method to measure 4-particle reduced density matrices and add corrections to quantum computed energies.

User Experience

• FCIDUMP read/ write for improved integration with other quantum chemistry packages.
• Unit cell visualization extensions, and support for trotterization in the operator level.
• Improved resource cost estimation on H-Series quantum computers, Powered by Honeywell.

Support

Thank you for your continued support, and we look forward to seeing what you can do with v2.0!

Please email inquanto-support@quantinuum.com if there are any questions.