InQuanto Integrates NVIDIA cuQuantum for Native GPU Support and Prepares for the Era of Quantum Supercomputing

With quantum progress accelerating, we introduce InQuanto v4.0 and explain how it supports customers and researchers exploring the application of AI, HPC and quantum computing – A.K.A. Quantum Supercomputing – to problems in chemistry and related fields

November 21, 2024

Chemistry plays a central role in the modern global economy, as it has for centuries. From Antoine Lavoisier to Alessandro Volta, Marie Curie to Venkatraman Ramakrishnan, pioneering chemists drove progress in fields such as combustion, electrochemistry, and biochemistry. They contributed to our mastery of critical 21st century materials such as biodegradable plastics, semiconductors, and life-saving pharmaceuticals. 

Advances in high-performance computing (HPC) and AI have brought fundamental and industrial science ever more within the scope of methods like data science and predictive analysis. In modern chemistry, it has become routine for research to be aided by computational models run in silico. Yet, due to their intrinsically quantum mechanical nature, “strongly correlated” chemical systems – those involving strongly interacting electrons or highly interdependent molecular behaviors – prove extremely hard to accurately simulate using classical computers alone. Quantum computers running quantum algorithms are designed to meet this need. Strongly correlated systems turn up in potential applications such as smart materials, high-temperature superconductors, next-generation electronic devices, batteries and fuel cells, revealing the economic potential of extending our understanding of these systems, and the motivation to apply quantum computing to computational chemistry. 

For senior business and research leaders driving value creation and scientific discovery, a critical question is how will the introduction of quantum computers affect the trajectory of computational approaches to fundamental and industrial science?

Introducing InQuanto v4.0

This is the exciting context for our announcement of InQuanto v4.0, the latest iteration of our computational chemistry platform for quantum computers. Developed over many years in close partnership with computational chemists and materials scientists, InQuanto has become an essential tool for teams using the most advanced methods for simulating molecular and material systems. InQuanto v4.0 is packed with powerful updates, including the capability to incorporate NVIDIA’s tensor network methods for large-scale classical simulations supported by graphical processing units (GPUs). 

When researching chemistry on quantum computers, we use classical HPC to perform tasks such as benchmarking, and for classical pre- and post-processing with computational chemistry methods such as density functional theory. This powerful hybrid quantum-classical combination with InQuanto accelerated our work with partners such as BMW Group, Airbus, and Honeywell. Global businesses and national governments alike are gearing up for the use of such hybrid “quantum supercomputers” to become standard practice. 

In a recent technical blog post, we explored the rapid development and deployment of InQuanto for research and enterprise users, offering insights for combining quantum and high-performance classical methods with only a few lines of code. Here, we provide a higher-level overview of the value InQuanto brings to fundamental and industrial research teams. 

InQuanto v4.0 – under the hood

InQuanto v4.0 is the most powerful version to date of our advanced quantum computational chemistry platform. It supports our users in applying quantum and classical computing methods to problems in chemistry and, increasingly, adjacent fields such as condensed matter physics.

Like previous versions of InQuanto, this one offers state-of-the-art algorithms, methods, and error handling techniques out of the box. Quantum error correction and detection have enabled rapid progress in quantum computing, such as groundbreaking demonstrations in partnership with Microsoft, in April and September 2024, of highly reliable “logical qubits”. Qubits are the core information-carrying components of a quantum computer and by forming them into an ensemble, they are more resistant to errors, allowing more complex problems to be tackled while producing accurate results. InQuanto continues to offer leading-edge quantum error detection protocols as standard and supports users to explore the potential of algorithms for fault-tolerant machines.

InQuanto v4.0 also marks the significant step of introducing native support for tensor networks using GPUs to accelerate simulations. In 2022, Quantinuum and NVIDIA teamed up on one of the quantum computing industry’s earliest quantum-classical collaborations. InQuanto v4.0 introduces classical tensor network methods via an interface with NVIDIA's cuQuantum SDK. Interfacing with cuQuantum enables the simulation of many quantum circuits via the use of GPUs for applications in chemistry that were previously inaccessible, particularly those with larger numbers of qubits.

“Hybrid quantum-classical supercomputing is accelerating quantum computational chemistry research. With Quantinuum’s InQuanto v4.0 platform and NVIDIA’s cuQuantum SDK, InQuanto users now have access to unique tensor-network-based methods, enabling large-scale and high-precision quantum chemistry simulations” - Tim Costa, Senior Director of HPC and Quantum Computing at NVIDIA

We are also responding to our users’ needs for more robust, enterprise-grade management of applications and data, by incorporating InQuanto into Quantinuum Nexus. This integration makes it far easier and more efficient to build hybrid workflows, decode and store data, and use powerful analytical methods to accelerate scientific and technical progress in critical fields in natural science.

Adding further capabilities, we recently announced our integration of InQuanto with Microsoft’s Azure Quantum Elements (AQE), allowing users to seamlessly combine AQE’s state-of-the-art HPC and AI methods with the enhanced quantum capabilities of InQuanto in a single workflow. The first end-to-end workflow using HPC, AI and quantum computing was demonstrated by Microsoft using AQE and Quantinuum Systems hardware, achieving chemical accuracy and demonstrating the advantage of logical qubits compared to physical qubits in modeling a catalytic reaction.

Where InQuanto takes us next

In the coming years, we expect to see scientific and economic progress using the powerful combination of quantum computing, HPC, and artificial intelligence. Each of these computing paradigms contributes to our ability to solve important problems. Together, their combined impact is far greater than the sum of their parts, and we recognize that these have the potential to drive valuable computational innovation in industrial use-cases that really matter, such as in energy generation, transmission and storage, and in chemical processes essential to agriculture, transport, and medicine.

Building on our recent hardware roadmap announcement, which supports scientific quantum advantage and a commercial tipping point in 2029, we are demonstrating the value of owning and building out the full quantum computing stack with a unified goal of accelerating quantum computing, integrating with HPC and AI resources where it shows promise, and using the power of the “quantum supercomputer” to make a positive difference in fundamental and industrial chemistry and related domains.

In close collaboration with our customers, we are driving towards systems capable of supporting quantum advantage and unlocking tangible and significant business value.

To access InQuanto today, including Quantinuum Systems and third-party hardware and emulators, visit: https://www.quantinuum.com/products-solutions/inquanto 

To get started with Quantinuum Nexus, which meets all your quantum computing needs across Quantinuum Systems and third-party backends, visit: https://www.quantinuum.com/products-solutions/nexus 

To find out more and access Quantinuum Systems, visit: https://www.quantinuum.com/products-solutions/quantinuum-systems 

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. 

Blog
July 3, 2025
We’re taking a transformational approach to quantum computing

Our quantum algorithms team has been hard at work exploring solutions to continually optimize our system’s performance. Recently, they’ve invented a novel technique, called the Quantum Paldus Transform (QPT), that can offer significant resource savings in future applications.

The transform takes complex representations and makes them simple, by transforming into a different “basis”. This is like looking at a cube from one angle, then rotating it and seeing just a square, instead. Transformations like this save resources because the more complex your problem looks, the more expensive it is to represent and manipulate on qubits.

You’ve changed

While it might sound like magic, transforms are a commonly used tool in science and engineering. Transforms simplify problems by reshaping them into something that is easier to deal with, or that provides a new perspective on the situation. For example, sound engineers use Fourier transforms every day to look at complex musical pieces in terms of their frequency components. Electrical engineers use Laplace transforms; people who work in image processing use the Abel transform; physicists use the Legendre transform, and so on.

In a new paper outlining the necessary tools to implement the QPT, Dr. Nathan Fitzpatrick and Mr. Jędrzej Burkat explain how the QPT will be widely applicable in quantum computing simulations, spanning areas like molecular chemistry, materials science, and semiconductor physics. The paper also describes how the algorithm can lead to significant resource savings by offering quantum programmers a more efficient way of representing problems on qubits.

Symmetry is key

The efficiency of the QPT stems from its use of one of the most profound findings in the field of physics: that symmetries drive the properties of a system.

While the average person can “appreciate” symmetry, for example in design or aesthetics, physicists understand symmetry as a much more profound element present in the fabric of reality. Symmetries are like the universe’s DNA; they lead to conservation laws, which are the most immutable truths we know.

Back in the 1920’s, when women were largely prohibited from practicing physics, one of the great mathematicians of the century, Emmy Noether, turned her attention to the field when she was tasked with helping Einstein with his work. In her attempt to solve a problem Einstein had encountered, Dr. Noether realized that all the most powerful and fundamental laws of physics, such as “energy can neither be created nor destroyed” are in fact the consequence of a deep simplicity – symmetry – hiding behind the curtains of reality. Dr. Noether’s theorem would have a profound effect on the trajectory of physics.

In addition to the many direct consequences of Noether’s theorem is a longstanding tradition amongst physicists to treat symmetry thoughtfully. Because of its role in the fabric of our universe, carefully considering the symmetries of a system often leads to invaluable insights.

Einstein, Pauli and Noether walk into a bar...

Many of the systems we are interested in simulating with quantum computers are, at their heart, systems of electrons. Whether we are looking at how electrons move in a paired dance inside superconductors, or how they form orbitals and bonds in a chemical system, the motion of electrons are at the core.

Seven years after Noether published her blockbuster results, Wolfgang Pauli made waves when he published the work describing his Pauli exclusion principle, which relies heavily on symmetry to explain basic tenets of quantum theory. Pauli’s principle has enormous consequences; for starters, describing how the objects we interact with every day are solid even though atoms are mostly empty space, and outlining the rules of bonds, orbitals, and all of chemistry, among other things.

Symmetry in motion

It is Pauli's symmetry, coupled with a deep respect for the impact of symmetry, that led our team at Quantinuum to the discovery published today.

In their work, they considered the act of designing quantum algorithms, and how one’s design choices may lead to efficiency or inefficiency.

When you design quantum algorithms, there are many choices you can make that affect the final result. Extensive work goes into optimizing each individual step in an algorithm, requiring a cyclical process of determining subroutine improvements, and finally, bringing it all together. The significant cost and time required is a limiting factor in optimizing many algorithms of interest.

This is again where symmetry comes into play. The authors realized that by better exploiting the deepest symmetries of the problem, they could make the entire edifice more efficient, from state preparation to readout. Over the course of a few years, a team lead Dr. Fitzpatrick and his colleague Jędrzej Burkat slowly polished their approach into a full algorithm for performing the QPT.

The QPT functions by using Pauli’s symmetry to discard unimportant details and strip the problem down to its bare essentials. Starting with a Paldus transform allows the algorithm designer to enjoy knock-on effects throughout the entire structure, making it overall more efficient to run.

“It’s amazing to think how something we discovered one hundred years ago is making quantum computing easier and more efficient,” said Dr. Nathan Fitzpatrick.

Ultimately, this innovation will lead to more efficient quantum simulation. Projects we believed to still be many years out can now be realized in the near term.

Transforming the future

The discovery of the Quantum Paldus Transform is a powerful reminder that enduring ideas—like symmetry—continue to shape the frontiers of science. By reaching back into the fundamental principles laid down by pioneers like Noether and Pauli, and combining them with modern quantum algorithm design, Dr. Fitzpatrick and Mr. Burkat have uncovered a tool with the potential to reshape how we approach quantum computation.

As quantum technologies continue their crossover from theoretical promise to practical implementation, innovations like this will be key in unlocking their full potential.

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Blog
July 2, 2025
Cracking the code of superconductors: Quantum computers just got closer to the dream

In a new paper in Nature Physics, we've made a major breakthrough in one of quantum computing’s most elusive promises: simulating the physics of superconductors. A deeper understanding of superconductivity would have an enormous impact: greater insight could pave the way to real-world advances, like phone batteries that last for months, “lossless” power grids that drastically reduce your bills, or MRI machines that are widely available and cheap to use.  The development of room-temperature superconductors would transform the global economy.

A key promise of quantum computing is that it has a natural advantage when studying inherently quantum systems, like superconductors. In many ways, it is precisely the deeply ‘quantum’ nature of superconductivity that makes it both so transformative and so notoriously difficult to study.

Now, we are pleased to report that we just got a lot closer to that ultimate dream.

Making the impossible possible

To study something like a superconductor with a quantum computer, you need to first “encode” the elements of the system you want to study onto the qubits – in other words, you want to translate the essential features of your material onto the states and gates you will run on the computer.

For superconductors in particular, you want to encode the behavior of particles known as “fermions” (like the familiar electron). Naively simulating fermions using qubits will result in garbage data, because qubits alone lack the key properties that make a fermion so unique.

Until recently, scientists used something called the “Jordan-Wigner” encoding to properly map fermions onto qubits. People have argued that the Jordan-Wigner encoding is one of the main reasons fermionic simulations have not progressed beyond simple one-dimensional chain geometries: it requires too many gates as the system size grows.  

Even worse, the Jordan-Wigner encoding has the nasty property that it is, in a sense, maximally non-fault-tolerant: one error occurring anywhere in the system affects the whole state, which generally leads to an exponential overhead in the number of shots required. Due to this, until now, simulating relevant systems at scale – one of the big promises of quantum computing – has remained a daunting challenge.

Theorists have addressed the issues of the Jordan-Wigner encoding and have suggested alternative fermionic encodings. In practice, however, the circuits created from these alternative encodings come with large overheads and have so far not been practically useful.

We are happy to report that our team developed a new way to compile one of the new, alternative, encodings that dramatically improves both efficiency and accuracy, overcoming the limitations of older approaches. Their new compilation scheme is the most efficient yet, slashing the cost of simulating fermionic hopping by an impressive 42%. On top of that, the team also introduced new, targeted error mitigation techniques that ensure even larger systems can be simulated with far fewer computational "shots"—a critical advantage in quantum computing.

Using their innovative methods, the team was able to simulate the Fermi-Hubbard model—a cornerstone of condensed matter physics— at a previously unattainable scale. By encoding 36 fermionic modes into 48 physical qubits on System Model H2, they achieved the largest quantum simulation of this model to date.

This marks an important milestone in quantum computing: it demonstrates that large-scale simulations of complex quantum systems, like superconductors, are now within reach.

Unlocking the Quantum Age, One Breakthrough at a Time

This breakthrough doesn’t just show how we can push the boundaries of what quantum computers can do; it brings one of the most exciting use cases of quantum computing much closer to reality. With this new approach, scientists can soon begin to simulate materials and systems that were once thought too complex for the most powerful classical computers alone. And in doing so, they’ve unlocked a path to potentially solving one of the most exciting and valuable problems in science and technology: understanding and harnessing the power of superconductivity.

The future of quantum computing—and with it, the future of energy, electronics, and beyond—just got a lot more exciting.

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Blog
July 1, 2025
Quantinuum with partners Princeton and NIST deliver seminal result in quantum error correction

In an experiment led by Princeton and NIST, we’ve just delivered a crucial result in Quantum Error Correction (QEC), demonstrating key principles of scalable quantum computing developed by Drs Peter Shor, Dorit Aharonov, and Michael Ben-Or. In this latest paper, we showed that by using “concatenated codes” noise can be exponentially suppressed — proving that quantum computing will scale.

When noise is low enough, the results are transformative

Quantum computing is already producing results, but high-profile applications like Shor’s algorithm—which can break RSA encryption—require error rates about a billion times lower than what today’s machines can achieve.

Achieving such low error rates is a holy grail of quantum computing. Peter Shor was the first to hypothesize a way forward, in the form of quantum error correction. Building on his results, Dorit Aharanov and Michael Ben-Or proved that by concatenating quantum error correcting codes, a sufficiently high-quality quantum computer can suppress error rates arbitrarily at the cost of a very modest increase in the required number of qubits.  Without that insight, building a truly fault-tolerant quantum computer would be impossible.

Their results, now widely referred to as the “threshold theorem”, laid the foundation for realizing fault-tolerant quantum computing. At the time, many doubted that the error rates required for large-scale quantum algorithms could ever be achieved in practice. The threshold theorem made clear that large scale quantum computing is a realistic possibility, giving birth to the robust quantum industry that exists today.

Realizing a legendary vision

Until now, nobody has realized the original vision for the threshold theorem. Last year, Google performed a beautiful demonstration of the threshold theorem in a different context (without concatenated codes). This year, we are proud to report the first experimental realization of that seminal work—demonstrating fault-tolerant quantum computing using concatenated codes, just as they envisioned.

The benefits of concatenation

The team demonstrated that their family of protocols achieves high error thresholds—making them easier to implement—while requiring minimal ancilla qubits, meaning lower overall qubit overhead. Remarkably, their protocols are so efficient that fault-tolerant preparation of basis states requires zero ancilla overhead, making the process maximally efficient.

This approach to error correction has the potential to significantly reduce qubit requirements across multiple areas, from state preparation to the broader QEC infrastructure. Additionally, concatenated codes offer greater design flexibility, which makes them especially attractive. Taken together, these advantages suggest that concatenation could provide a faster and more practical path to fault-tolerant quantum computing than popular approaches like the surface code.

We’re always looking forward

From a broader perspective, this achievement highlights the power of collaboration between industry, academia, and national laboratories. Quantinuum’s commercial quantum systems are so stable and reliable that our partners were able to carry out this groundbreaking research remotely—over the cloud—without needing detailed knowledge of the hardware. While we very much look forward to welcoming them to our labs before long, its notable that they never need to step inside to harness the full capabilities of our machines.

As we make quantum computing more accessible, the rate of innovation will only increase. The era of plug-and-play quantum computing has arrived. Are you ready?

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