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Quantum Computing

Enabling quantum computing
for materials discovery.

Our team of theoreticians, quantum chemists, computer scientists and software engineers are building powerful quantum and quantum-inspired software to solve the most complex problems in materials science and chemistry.

Quantum computing for materials discovery

Quantum computing has the potential to disrupt nearly every industry with exponential performance gains over classical computing. Our team is applying quantum methods to improve our Materials Discovery Platform.

  • Faster materials simulations
  • More accurate property predictions
  • Excited states mapping
  • Chemical reaction modeling
  • Molecular geometry
  • Strong electron correlation
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.

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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.

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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.

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Recent Publications

Read some of our latest research in quantum computing.

Quantum chemistry on quantum annealers
Quantum chemistry on quantum annealers

Read More  arxiv.org

Qubit coupled cluster method
Qubit coupled-cluster (QCC) method

Read More  arxiv.org

Constrained variational quantum eigensolver
Constrained Variational Quantum Eigensolver

Read More  arxiv.org

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

Read More  arxiv.org

Symmetry adaptation in quantum chemistry calculations on a quantum computer
Symmetry adaptation in quantum chemistry calculations on a quantum computer
Read More  arxiv.org
Iterative Qubit Coupled Cluster approach with efficienct screening of generators
Iterative Qubit Coupled Cluster approach with efficient screening of generators

Read More  arxiv.org

Pauli partitioning with respect to gate sets
Pauli Partitioning with Respect to Gate Sets

Read More  arxiv.org

Revising the measurement process in the variational quantum eignesolver
Revising the measurement process in the variational quantum eigensolver
Read More  arxiv.org
OTI quantum computing publication
A posteriori corrections to the Iterative Qubit Coupled Cluster method

Read More  arxiv.org

OTI publication on quantum computing
Estimating Phosphorescent Emission Energies in Ir (III) Complexes
Read More  arxiv.org

Our Collaborators

We firmly believe that success requires collaboration across the stack. Our team works closely with leading academic researchers, quantum hardware companies, and industrial partners on advancing quantum computing for materials discovery.
University of Waterloo logo
D-Wave logo
University of Toronto logo
Rigetti logo
IQC logo
Microsoft logo
Interested in learning more about quantum computing for materials discovery?