Quantinuum introduces hybrid solver for industrially relevant chemical modeling
New solution could have significant impacts for the automotive, aerospace, semiconductor and oil and gas industries
It’s believed that quantum computing will transform the way we solve chemistry problems, and the Quantinuum scientific team continues to push the envelope towards making that a reality.
In their latest research paper published on the arXiv, Quantinuum scientists describe a new hybrid classical-quantum solver for chemistry. The method they developed can model complex molecules at a new level of efficiency and precision.
Dr. Michał Krompiec, Scientific Project Manager, and his colleague Dr. David Muñoz Ramo, Head of Quantum Chemistry, co-authored the paper, "Strongly Contracted N-Electron Valence State Perturbation Theory Using Reduced Density Matrices from a Quantum Computer".
The implications are significant as their innovation “tackles one of the biggest bottlenecks in modelling molecules on quantum computers,” according to Dr. Krompiec.
Quantum computers are a natural platform to solve chemistry problems. Chemical molecules are made of many interacting electrons, and quantum mechanics can describe the behavior and energies of these electrons.
As Dr. Krompiec explains, “nature is not classical, it is quantum. We want to map the quantum system of interacting electrons into a quantum system of interacting qubits, and then solve it.”
Solving the full picture of electron interactions is extremely difficult, but fortunately it is not always necessary. Scientists usually simplify the task by focusing on the active space of the molecule, a smaller subset of the problem which matters most.
Even with these simplifications, difficulties remain. One challenge is carefully choosing this smaller subset, which describes strongly correlated electrons and is therefore more complex. Another challenge is accurately solving the rest of the system. Solving the chemistry of the complex subset can often be done from perturbation theory using so-called “multi-reference” methods.
In their work, the Quantinuum team came up with a new multi-reference technique. They maintain that only the strongly correlated part of the molecule should be calculated on a quantum computer. This is important, as this part usually scales exponentially with the size of the molecule, making it classically intractable.
The quantum algorithm they used on this part relied on measuring reduced density matrices and feeding them into a multi-reference perturbation theory calculation, a combination that had never been used in this context. Implementing the quantum electronic structure solver on the active space and using measured reduced density matrices makes the problem less computationally expensive and the solution more accurate.
The team tested their workflow on two molecules - H2 and Li2 – using Quantinuum’s hybrid solver implemented in the InQuanto quantum computational chemistry platform and IBM’s 27-qubit device. Quantinuum software is platform inclusive and is often tested on both its own H Series ion-trap quantum systems as well as others.
The non-strongly correlated regions of the molecules were run classically, as they would not benefit from a quantum speedup. The team’s results showed excellent agreement with previous models, meaning their method worked. Beyond that, the method showed great promise for reaching new levels of speed and accuracy for larger molecules.
The future impact of this work could create a new paradigm to perform quantum chemistry. The authors of the paper believe it may represent the best way of computing dynamic correlation corrections to active space-type quantum methods.
As Dr. Krompiec said, “Quantum chemistry can finally be solved with an application of a quantum solver. This can remove the factorial scaling which limits the applicability of this rigorous method to a very small subsystem.”
The idea to use a multi-reference method along with reduced density matrix measurement is quite novel and stems from the diverse backgrounds of the team at Quantinuum. It is a unique application of well-known quantum algorithms to a set of theoretical quantum chemistry problems.
What’s Next
The use cases are vast. Analysis of catalyst and material properties may first benefit from this new method, which will have a tremendous impact in the automotive, aerospace, fine chemicals, semiconductor, and energy industries.
Implementing this method on real hardware is limited by the current noise levels. But as the quality of the qubits increases, the method will unleash its full potential. Quantinuum’s System Model H1 trapped-ion hardware, Powered by Honeywell, benefits from high fidelity qubits, and will be a valuable resource for quantum chemists wishing to follow this work.
This hybrid quantum-classical method promises a path to quantum advantage for important chemistry problems, as machines become more powerful.
As Dr. Krompiec summarizes, “we haven’t just created a toy model that works for near-term devices. This is a fundamental method that will still be relevant as quantum computers continue to mature.”
About Quantinuum
Quantinuum, the world’s largest integrated quantum company, pioneers powerful quantum computers and advanced software solutions. Quantinuum’s technology drives breakthroughs in materials discovery, cybersecurity, and next-gen quantum AI. With over 500 employees, including 370+ scientists and engineers, Quantinuum leads the quantum computing revolution across continents.
Quantinuum is pleased to announce that applications are now open for the Quantinuum SG Grand Challenge 2026, a global innovation challenge designed to bring together researchers, developers, scientists and innovators to explore practical applications of quantum computing.
Organized by Quantinuum and supported by Singapore's National Quantum Office and Aqora, the three-month program aims to foster collaboration across academia, industry and the quantum developer community while supporting the continued growth of Singapore's quantum ecosystem.
A Platform for Quantum Computing Innovation
Participants will work in teams to develop solutions across a range of challenge areas, including chemistry and molecular simulation, optimization, AI for quantum systems, quantum error correction, condensed matter and materials science, and open innovation. Throughout the program, participants will have access to mentoring, technical enablement and Quantinuum quantum computing resources.
Singapore Grand Finale
Selected finalist teams will be invited to present their work at the Grand Finale hosted in Singapore before representatives from academia, and industry. The event will celebrate innovative applications of quantum computing while providing an opportunity for participants to engage with Singapore's growing quantum community.
Join the Challenge
The Quantinuum SG Grand Challenge welcomes participants from around the world. Whether you are an experienced quantum researcher or beginning your quantum computing journey, the program offers an opportunity to collaborate, learn and contribute to the development of practical quantum applications.
Applications are now open. Spaces are limited and subject to review and approval.
- Researchers from Quantinuum, Caltech, the University of Chicago, and Harvard created a rare topologically ordered state of matter on Quantinuum's System Model H2 and used it to perform protected universal quantum gates with non-Abelian anyons.
- The work explores an alternative approach to fault tolerance by using topological properties to protect quantum information. This could reduce the need for magic state distillation, which can (in some circumstances) be resource-intensive.
- Quantinuum continues to show leadership in fault tolerance, with successful demonstrations spanning world record error rates to exotic approaches like topological computing
Quantum computing is all about putting the exotic properties of physics to work. Qubits can exist in two states at once, like the famous cat that is both alive and dead. Qubits can also be entangled, where the state of one will instantaneously affect the state of another - even when they have no way to “talk” to each other. Qubits can even be teleported, moving a quantum state from one place to another without physically moving it through space.
These features give quantum computing its power. But the ‘spooky’ nature of quantum computing doesn’t stop there: our quantum computers are potent enough to make exotic states of matter out of our qubits, and to perform calculations that would warp the mind of more traditional thinkers.
A new approach
In a recent paper published in Nature, researchers at Quantinuum teamed up with Caltech, the University of Chicago, and Harvard to create a rare ‘topologically ordered’ state of matter from our qubits.
When the qubits become ‘topologically ordered’, they become more than individual particles, now ‘related’ to each other in a specific way. This is like how hydrogen and oxygen act as individual gas particles alone, but you can put them together in a certain way so that they become water, a liquid, and an entirely different creature.
When the qubits become topologically ordered, the quantum information that they carried individually gets spread out over the whole system, which acts as a sort of protection from noise. This is like how a net makes a stronger barrier than a bunch of un-knotted ropes.
Once the researchers had topologically ordered qubits, they used the exotic particles that resulted (called non-Abelian anyons) to compute, performing error-protected gates and measurements.
To perform gates, the researchers 'braided' the anyons, which is like changing the shape of the “net”. This is something like the children’s game ‘cats cradle’. Through a sequence of changes to the “net”, the quantum computer can perform full calculations, one day helping scientists to understand the secrets hidden in the world around us.
Why go to such trouble? Well, for the love of discovery of course - but the team had an additional, specific motivation. One of the biggest challenges in building practical quantum computers is protecting them from errors while still being able to perform every operation needed for computation (this is referred to as universality).
This work takes a fresh approach to this challenge. Unlike traditional quantum error correction, the special properties of topological matter enable a universal set of fault tolerant gates without relying on expensive magic state distillation.
Why this matters
Quantum error correction is essential for large-scale quantum computing. While it protects fragile quantum information from noise by turning delicate physical qubits into robust logical qubits, it also introduces a significant constraint: not every quantum gate can be performed directly on logical qubits.
For decades, the standard solution has been to supplement error-corrected operations with magic states. These specially prepared quantum resources enable universal computation but can come at a steep cost - in many estimates of future fault-tolerant quantum computers, magic state preparation dominates both the physical qubit count and the runtime of useful algorithms.
Reducing this overhead has therefore become an important goal in quantum computing. This new approach may significantly reduce the cost by enabling the ‘topological preparation’ of magic states, eliding expensive protocols like distillation. If universal computation can be performed without large-scale magic state distillation, quantum computers could require significantly fewer physical qubits and spend much less time generating computational resources before running useful algorithms.
We will never stop exploring
While there is still considerable work ahead to understand the practical implementation and scalability of these ideas, this result expands the landscape of what's possible in quantum fault tolerance.
Of course, this impressive demonstration describes just one approach we are taking to fault tolerance at scale. We will continue to push forward with topological computing alongside more traditional approaches to quantum error correction, as well as exploring everything we can imagine in between. We are looking at a number of ways to reduce the resource cost of magic states in particular, and are making strides in multiple dimensions. With machines that are both flexible and accurate enough to do it all, who can resist?
- Quantinuum continues its progress toward fault-tolerant quantum computing, with a series of peer-reviewed breakthroughs in fault-tolerant operations.
- Our progress is not only scientific; it is commercial. By improving logical-qubit reliability and encoding efficiency, Quantinuum is reducing the resource overhead required to scale its quantum computers toward commercially useful workloads.
- These results were achieved on commercial Quantinuum hardware, reinforcing that our architecture is not just setting new standards, but building a practical foundation for customers, partners, and researchers preparing for the fault-tolerant era.
Fault-tolerant quantum computing is the threshold the industry must cross before quantum computers can solve the hardest, highest-value problems with confidence. To be commercially useful at scale, the question is not simply who can build more qubits. It is who can build reliable, efficient, scalable systems that reduce technical risk and accelerate the path to commercial usefulness.
Quantinuum is progressing on that path.
Last year, in partnership with Microsoft, we published a breakthrough in logical computing, demonstrating logical qubits that outperformed their physical counterparts by a factor of 800. We are proud to announce that this work is now being published in Nature, one of the most highly regarded scientific journals in the world.
This work highlights our leading fidelities, as shown in Table 1:
Since then, we’ve accelerated our efforts to reach large-scale fault tolerance and advanced what we believe to be the core building blocks of fault-tolerant quantum computing, from logical-qubit teleportation and multiple error-correction breakthroughs to one of the first meaningful computations using logical qubits. Importantly, these results were achieved on commercial Quantinuum hardware, demonstrating not just scientific progress, but a practical and efficient path toward scalable, customer-ready fault tolerance.
A Recap of Our Recent Technical Progress
Since the work with Microsoft, we achieved a milestone years ahead of schedule, demonstrating high-fidelity teleportation of a logical qubit, which was published in Science, one of the world’s most prestigious journals. Later, we beat our own record in this crucial fault tolerance milestone, thanks to continued improvements to our System Model H2’s fidelity.
Then, a series of results demonstrating more error-correcting milestones (and codes):
- Better than physical results in a high-rate non-local code,
- First-ever demonstration of a single-shot error correcting code (which significantly reduces resource requirements) in 4 dimensions
- Extending qubit lifetimes by 10x with a concatenated code
- Observed fault-tolerance thresholds with concatenated codes
- High fidelity magic states and a fully fault tolerant universal gate set in two different papers
Recently, we topped ourselves yet again by performing one of the first meaningful computations with logical qubits – exploring key questions in materials and magnetism, using logical qubits with better error rates than their physical counterparts. This result also includes a leading “encoding rate” squeezing 48 logical qubits out of just 98 physical qubits, emphasizing how our architecture helps to support large scale fault tolerance without enormous resource costs.
It is worth noting that all these results were achieved on our commercial hardware, not on one-off laboratory test-stands – reflecting the performance that we are able to deliver to our customers.
We also did crucial theoretical work, exploring new options for error correction that can reduce resource requirements, time to solution, and shorten the timeline to large scale fault tolerance.
Commercial Implications and the Road Ahead
We believe the commercial implication is clear: Quantinuum is reducing the uncertainty around the path to fault-tolerant quantum computing. Our architecture, hardware fidelity, full-stack control, and error-correction progress are converging into a practical roadmap for systems that can support valuable scientific and commercial workloads.
For those evaluating when quantum computing will become strategically relevant, we believe the signal is also increasingly clear: the fault-tolerant era is no longer a distant concept. It is becoming an engineering reality, and Quantinuum is leading the way.