Quantum Theory

Our team of theoreticians and quantum chemists are developing key foundational theory to enable quantum computers to solve the most difficult and high value problems in materials science and chemistry.

Quantum Algorithms

Our team of quantum chemists and computer scientists builds on top of the foundational work of our quantum theory team to develop state-of the art quantum and quantum-inspired algorithms for computational chemistry.

Quantum Software

Our team of quantum software engineers translate the powerful quantum and quantum-inspired algorithms developed by our algorithm team into optimized code that can be run on any quantum computing hardware.

Quantum chemistry on quantum annealers

Qubit coupled-cluster (QCC) method

Constrained Variational Quantum Eigensolver

Relation between fermionic and qubit mean fields in the electronic structure problem

Symmetry adaptation in quantum chemistry calculations on a quantum computer

Iterative Qubit Coupled Cluster approach with efficient screening of generators

Pauli Partitioning with Respect to Gate Sets

Revising the measurement process in the variational quantum eigensolver

A posteriori corrections to the Iterative Qubit Coupled Cluster method

Sparse Simulation of VQE Circuits

Efficient Construction of Involutory Linear Combinations of Anticommuting Pauli Generators for Large-Scale Iterative Qubit Coupled Cluster Calculations

Optimization of the Qubit Coupled Cluster Ansatz on Classical
Computers

Multistate iterative qubit coupled cluster (MS-iQCC): a quantum-inspired,
state-averaged approach to ground- and excited-state energies

Estimating Phosphorescent Emission Energies in Ir (III) Complexes

Towards Quantum Advantage in Chemistry

Parallel iQCC Enables 200 Qubit Scale Quantum Chemistry on Accelerated Computing Platforms Surpassing Classical Benchmarks in Ruthenium Catalysts