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.
Quantum computing companies are poised to exceed $1 billion in revenues by the close of 2025, according to McKinsey & Company, underscoring how today’s quantum computers are already delivering customer value in their current phase of development.
This figure is projected to reach upwards of $37 billion by 2030, rising in parallel with escalating demand, as well as with the scale of the machines and the complexity of problem sets of which they will be able to address.
Several systems on the market today are fault-tolerant by design, meaning they are capable of suppressing error-causing noise to yield reliable calculations. However, the full potential of quantum computing to tackle problems of true industrial relevance, in areas like medicine, energy, and finance, remains contingent on an architecture that supports a fully fault-tolerant universal gate set with repeatable error correction—a capability that, until now, has eluded the industry.
Quantinuum is the first—and only—company to achieve this critical technical breakthrough, universally recognized as the essential precursor to scalable, industrial-scale quantum computing. This milestone provides us with the most de-risked development roadmap in the industry and positions us to fulfill our promise to deliver our universal, fully fault-tolerant quantum computer, Apollo, by 2029.
In this regard, Quantinuum is the first company to step from the so-called “NISQ” (noisy intermediate-scale quantum) era towards utility-scale quantum computers.
Unpacking our achievement: first, a ‘full’ primer
A quantum computer uses operations called gates to process information in ways that even today’s fastest supercomputers cannot. The industry typically refers to two types of gates for quantum computers:
- Clifford gates, which can be easily simulated by classical computers, and are relatively easy to implement; and
- Non-Clifford gates, which are usually harder to implement, but are required to enable true quantum computation (when combined with their siblings).
A system that can run both gates is classified as universal and has the machinery to tackle the widest range of problems. Without non-Clifford gates, a quantum computer is non-universal and restricted to smaller, easier sets of tasks - and it can always be simulated by classical computers. This is like painting with a full palette of primary colors, versus only having one or two to work with. Simply put, a quantum computer that cannot implement ‘non-Clifford’ gates is not really a quantum computer.
A fault-tolerant, or error-corrected, quantum computer detects and corrects its own errors (or faults) to produce reliable results. Quantinuum has the best and brightest scientists dedicated to keeping our systems’ error rates the lowest in the world.
For a quantum computer to be fully fault-tolerant, every operation must be error-resilient, across Clifford gates and non-Clifford gates, and thus, performing “a full gate set” with error correction. While some groups have performed fully fault-tolerant gate sets in academic settings, these demonstrations were done with only a few qubits and error rates near 10%—too high for any practical use.
Today, we have published two papers that establishes Quantinuum as the first company to develop a complete solution for a universal fully fault-tolerant quantum computer with repeatable error correction, and error rates low enough for real-world applications.
This is where the magic happens
The first paper describes how scientists at Quantinuum used our System Model H1-1 to perfect magic state production, a crucial technique for achieving a fully fault-tolerant universal gate set. In doing so, they set a record magic state infidelity (7x10-5), 10x better than any previously published result.
Our simulations show that our system could reach a magic state infidelity of 10^-10, or about one error per 10 billion operations, on a larger-scale computer with our current physical error rate. We anticipate reaching 10^-14, or about one error per 100 trillion operations, as we continue to advance our hardware. This means that our roadmap is now derisked.
Setting a record magic state infidelity was just the beginning. The paper also presents the first break-even two-qubit non-Clifford gate, demonstrating a logical error rate below the physical one. In doing so, the team set another record for two-qubit non-Clifford gate infidelity (2x10-4, almost 10x better than our physical error rate). Putting everything together, the team ran the first circuit that used a fully fault-tolerant universal gate set, a critical moment for our industry.
Flipping the switch
In the second paper, co-authored with researchers at the University of California at Davis, we demonstrated an important technique for universal fault-tolerance called “code switching”.
Code switching describes switching between different error correcting codes. The team then used the technique to demonstrate the key ingredients for universal computation, this time using a code where we’ve previously demonstrated full error correction and the other ingredients for universality.
In the process, the team set a new record for magic states in a distance-3 error correcting code, over 10x better than the best previous attempt with error correction. Notably, this process only cost 28 qubits instead of hundreds. This completes, for the first time, the ingredient list for a universal gate setin a system that also has real-time and repeatable QEC.
Fully equipped for fault-tolerance
Innovations like those described in these two papers can reduce estimates for qubit requirements by an order of magnitude, or more, bringing powerful quantum applications within reach far sooner.
With all of the required pieces now, finally, in place, we are ‘fully’ equipped to become the first company to perform universal fully fault-tolerant computing—just in time for the arrival of Helios, our next generation system launching this year, and what is very likely to remain as the most powerful quantum computer on the market until the launch of its successor, Sol, arriving in 2027.
If we are to create ‘next-gen’ AI that takes full advantage of the power of quantum computers, we need to start with quantum native transformers. Today we announce yet again that Quantinuum continues to lead by demonstrating concrete progress — advancing from theoretical models to real quantum deployment.
The future of AI won't be built on yesterday’s tech. If we're serious about creating next-generation AI that unlocks the full promise of quantum computing, then we must build quantum-native models—designed for quantum, from the ground up.
Around this time last year, we introduced Quixer, a state-of-the-art quantum-native transformer. Today, we’re thrilled to announce a major milestone: one year on, Quixer is now running natively on quantum hardware.
Why this matters: Quantum AI, born native
This marks a turning point for the industry: realizing quantum-native AI opens a world of possibilities.
Classical transformers revolutionized AI. They power everything from ChatGPT to real-time translation, computer vision, drug discovery, and algorithmic trading. Now, Quixer sets the stage for a similar leap — but for quantum-native computation. Because quantum computers differ fundamentally from classical computers, we expect a whole new host of valuable applications to emerge.
Achieving that future requires models that are efficient, scalable, and actually run on today’s quantum hardware.
That’s what we’ve built.
What makes Quixer different?
Until Quixer, quantum transformers were the result of a brute force “copy-paste” approach: taking the math from a classical model and putting it onto a quantum circuit. However, this approach does not account for the considerable differences between quantum and classical architectures, leading to substantial resource requirements.
Quixer is different: it’s not a translation – it's an innovation.
With Quixer, our team introduced an explicitly quantum transformer, built from the ground up using quantum algorithmic primitives. Because Quixer is tailored for quantum circuits, it's more resource efficient than most competing approaches.
As quantum computing advances toward fault tolerance, Quixer is built to scale with it.
What’s next for Quixer?
We’ve already deployed Quixer on real-world data: genomic sequence analysis, a high-impact classification task in biotech. We're happy to report that its performance is already approaching that of classical models, even in this first implementation.
This is just the beginning.
Looking ahead, we’ll explore using Quixer anywhere classical transformers have proven to be useful; such as language modeling, image classification, quantum chemistry, and beyond. More excitingly, we expect use cases to emerge that are quantum-specific, impossible on classical hardware.
This milestone isn’t just about one model. It’s a signal that the quantum AI era has begun, and that Quantinuum is leading the charge with real results, not empty hype.
Stay tuned. The revolution is only getting started.
Our team is participating in ISC High Performance 2025 (ISC 2025) from June 10-13 in Hamburg, Germany!
As quantum computing accelerates, so does the urgency to integrate its capabilities into today’s high-performance computing (HPC) and AI environments. At ISC 2025, meet the Quantinuum team to learn how the highest performing quantum systems on the market, combined with advanced software and powerful collaborations, are helping organizations take the next step in their compute strategy.
Quantinuum is leading the industry across every major vector: performance, hybrid integration, scientific innovation, global collaboration and ease of access.
- Our industry-leading quantum computer holds the record for performance with a Quantum Volume of 2²³ = 8,388,608 and the highest fidelity on a commercially available QPU available to our users every time they access our systems.
- Our systems have been validated by a #1 ranking against competitors in a recent benchmarking study by Jülich Research Centre.
- We’ve laid out a clear roadmap to reach universal, fully fault-tolerant quantum computing by the end of the decade and will launch our next-generation system, Helios, later this year.
- We are advancing real-world hybrid compute with partners such as RIKEN, NVIDIA, SoftBank, STFC Hartree Center and are pioneering applications such as our own GenQAI framework.
Exhibit Hall
From June 10–13, in Hamburg, Germany, visit us at Booth B40 in the Exhibition Hall or attend one of our technical talks to explore how our quantum technologies are pushing the boundaries of what’s possible across HPC.
Presentations & Demos
Throughout ISC, our team will present on the most important topics in HPC and quantum computing integration—from near-term hybrid use cases to hardware innovations and future roadmaps.
Multicore World Networking Event
- Monday, June 9 | 7:00pm – 9:00 PM at Hofbräu Wirtshaus Esplanade
In partnership with Multicore World, join us for a Quantinuum-sponsored Happy Hour to explore the present and future of quantum computing with Quantinuum CCO, Dr. Nash Palaniswamy, and network with our team.
Register here
H1 x CUDA-Q Demonstration
- All Week at Booth B40
We’re showcasing a live demonstration of NVIDIA’s CUDA-Q platform running on Quantinuum’s industry-leading quantum hardware. This new integration paves the way for hybrid compute solutions in optimization, AI, and chemistry.
Register for a demo
HPC Solutions Forum
- Wednesday, June 11 | 2:20 – 2:40 PM
“Enabling Scientific Discovery with Generative Quantum AI” – Presented by Maud Einhorn, Technical Account Executive at Quantinuum, discover how hybrid quantum-classical workflows are powering novel use cases in scientific discovery.
See You There!
Whether you're exploring hybrid solutions today or planning for large-scale quantum deployment tomorrow, ISC 2025 is the place to begin the conversation.
We look forward to seeing you in Hamburg!