Case Studies › HiDi

Algebraic Geometry for Spin-Adapted Coupled Cluster Theory

Spin symmetry is an essential physical principle for both chemical fidelity and scalable electronic-structure simulation. We develop a mathematical framework based on algebraic-geometric for spin-adapted coupled-cluster theory, providing new insights that allow us to push the boundaries of modern high-accuracy electronic-structure simulations.

From Promise to Practice: Benchmarking Quantum Chemistry on Quantum Hardware

Computational quantum chemistry is a cornerstone of modern R&D, used across reaction design, catalysis, and materials discovery. In this case study, we benchmark sample based quantum diagonalization on the W4-11 thermochemistry suite, presenting the largest high-throughput evaluation of a digital quantum device to date.