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
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.
Today’s LLMs are often impressive by past standards – but they are far from perfect
Quietly, and determinedly since 2019, we’ve been working on Generative Quantum AI. Our early focus on building natively quantum systems for machine learning has benefitted from and been accelerated by access to the world’s most powerful quantum computers, and quantum computers that cannot be classically simulated.
Our work additionally benefits from being very close to our Helios generation quantum computer, built in Colorado, USA. Helios is 1 trillion times more powerful than our H2 System, which is already significantly more advanced than all other quantum computers available.
While tools like ChatGPT have already made a profound impact on society, a critical limitation to their broader industrial and enterprise use has become clear. Classical large language models (LLMs) are computational behemoths, prohibitively huge and expensive to train, and prone to errors that damage their credibility.
Training models like ChatGPT requires processing vast datasets with billions, even trillions, of parameters. This demands immense computational power, often spread across thousands of GPUs or specialized hardware accelerators. The environmental cost is staggering—simply training GPT-3, for instance, consumed nearly 1,300 megawatt-hours of electricity, equivalent to the annual energy use of 130 average U.S. homes.
This doesn’t account for the ongoing operational costs of running these models, which remain high with every query.
Despite these challenges, the push to develop ever-larger models shows no signs of slowing down.
Enter quantum computing. Quantum technology offers a more sustainable, efficient, and high-performance solution—one that will fundamentally reshape AI, dramatically lowering costs and increasing scalability, while overcoming the limitations of today's classical systems.
Quantum Natural Language Processing: A New Frontier
At Quantinuum we have been maniacally focused on “rebuilding” machine learning (ML) techniques for Natural Language Processing (NLP) using quantum computers.
Our research team has worked on translating key innovations in natural language processing — such as word embeddings, recurrent neural networks, and transformers — into the quantum realm. The ultimate goal is not merely to port existing classical techniques onto quantum computers but to reimagine these methods in ways that take full advantage of the unique features of quantum computers.
We have a deep bench working on this. Our Head of AI, Dr. Steve Clark, previously spent 14 years as a faculty member at Oxford and Cambridge, and over 4 years as a Senior Staff Research Scientist at DeepMind in London. He works closely with Dr. Konstantinos Meichanetzidis, who is our Head of Scientific Product Development and who has been working for years at the intersection of quantum many-body physics, quantum computing, theoretical computer science, and artificial intelligence.
A critical element of the team’s approach to this project is avoiding the temptation to simply “copy-paste”, i.e. taking the math from a classical version and directly implementing that on a quantum computer.
This is motivated by the fact that quantum systems are fundamentally different from classical systems: their ability to leverage quantum phenomena like entanglement and interference ultimately changes the rules of computation. By ensuring these new models are properly mapped onto the quantum architecture, we are best poised to benefit from quantum computing’s unique advantages.
These advantages are not so far in the future as we once imagined – partially driven by our accelerating pace of development in hardware and quantum error correction.
Making computers “talk”- a short history
The ultimate problem of making a computer understand a human language isn’t unlike trying to learn a new language yourself – you must hear/read/speak lots of examples, memorize lots of rules and their exceptions, memorize words and their meanings, and so on. However, it’s more complicated than that when the “brain” is a computer. Computers naturally speak their native languages very well, where everything from machine code to Python has a meaningful structure and set of rules.
In contrast, “natural” (human) language is very different from the strict compliance of computer languages: things like idioms confound any sense of structure, humor and poetry play with semantics in creative ways, and the language itself is always evolving. Still, people have been considering this problem since the 1950’s (Turing’s original “test” of intelligence involves the automated interpretation and generation of natural language).
Up until the 1980s, most natural language processing systems were based on complex sets of hand-written rules. Starting in the late 1980s, however, there was a revolution in natural language processing with the introduction of machine learning algorithms for language processing.
Initial ML approaches were largely “statistical”: by analyzing large amounts of text data, one can identify patterns and probabilities. There were notable successes in translation (like translating French into English), and the birth of the web led to more innovations in learning from and handling big data.
What many consider “modern” NLP was born in the late 2000’s, when expanded compute power and larger datasets enabled practical use of neural networks. Being mathematical models, neural networks are “built” out of the tools of mathematics; specifically linear algebra and calculus.
Building a neural network, then, means finding ways to manipulate language using the tools of linear algebra and calculus. This means representing words and sentences as vectors and matrices, developing tools to manipulate them, and so on. This is precisely the path that researchers in classical NLP have been following for the past 15 years, and the path that our team is now speedrunning in the quantum case.
Quantum Word Embeddings: A Complex Twist
The first major breakthrough in neural NLP came roughly a decade ago, when vector representations of words were developed, using the frameworks known as Word2Vec and GloVe (Global Vectors for Word Representation). In a recent paper, our team, including Carys Harvey and Douglas Brown, demonstrated how to do this in quantum NLP models – with a crucial twist. Instead of embedding words as real-valued vectors (as in the classical case), the team built it to work with complex-valued vectors.
In quantum mechanics, the state of a physical system is represented by a vector residing in a complex vector space, called a Hilbert space. By embedding words as complex vectors, we are able to map language into parameterized quantum circuits, and ultimately the qubits in our processor. This is a major advance that was largely under appreciated by the AI community but which is now rapidly gaining interest.
Using complex-valued word embeddings for QNLP means that from the bottom-up we are working with something fundamentally different. This different “geometry” may provide advantage in any number of areas: natural language has a rich probabilistic and hierarchical structure that may very well benefit from the richer representation of complex numbers.
The Quantum Recurrent Neural Network (RNN)
Another breakthrough comes from the development of quantum recurrent neural networks (RNNs). RNNs are commonly used in classical NLP to handle tasks such as text classification and language modeling.
Our team, including Dr. Wenduan Xu, Douglas Brown, and Dr. Gabriel Matos, implemented a quantum version of the RNN using parameterized quantum circuits (PQCs). PQCs allow for hybrid quantum-classical computation, where quantum circuits process information and classical computers optimize the parameters controlling the quantum system.
In a recent experiment, the team used their quantum RNN to perform a standard NLP task: classifying movie reviews from Rotten Tomatoes as positive or negative. Remarkably, the quantum RNN performed as well as classical RNNs, GRUs, and LSTMs, using only four qubits. This result is notable for two reasons: it shows that quantum models can achieve competitive performance using a much smaller vector space, and it demonstrates the potential for significant energy savings in the future of AI.
In a similar experiment, our team partnered with Amgen to use PQCs for peptide classification, which is a standard task in computational biology. Working on the Quantinuum System Model H1, the joint team performed sequence classification (used in the design of therapeutic proteins), and they found competitive performance with classical baselines of a similar scale. This work was our first proof-of-concept application of near-term quantum computing to a task critical to the design of therapeutic proteins, and helped us to elucidate the route toward larger-scale applications in this and related fields, in line with our hardware development roadmap.
Quantum Transformers - The Next Big Leap
Transformers, the architecture behind models like GPT-3, have revolutionized NLP by enabling massive parallelism and state-of-the-art performance in tasks such as language modeling and translation. However, transformers are designed to take advantage of the parallelism provided by GPUs, something quantum computers do not yet do in the same way.
In response, our team, including Nikhil Khatri and Dr. Gabriel Matos, introduced “Quixer”, a quantum transformer model tailored specifically for quantum architectures.
By using quantum algorithmic primitives, Quixer is optimized for quantum hardware, making it highly qubit efficient. In a recent study, the team applied Quixer to a realistic language modeling task and achieved results competitive with classical transformer models trained on the same data.
This is an incredible milestone achievement in and of itself.
This paper also marks the first quantum machine learning model applied to language on a realistic rather than toy dataset.
This is a truly exciting advance for anyone interested in the union of quantum computing and artificial intelligence, and is in danger of being lost in the increased ‘noise’ from the quantum computing sector where organizations who are trying to raise capital will try to highlight somewhat trivial advances that are often duplicative.
Quantum Tensor Networks. A Scalable Approach
Carys Harvey and Richie Yeung from Quantinuum in the UK worked with a broader team that explored the use of quantum tensor networks for NLP. Tensor networks are mathematical structures that efficiently represent high-dimensional data, and they have found applications in everything from quantum physics to image recognition. In the context of NLP, tensor networks can be used to perform tasks like sequence classification, where the goal is to classify sequences of words or symbols based on their meaning.
The team performed experiments on our System Model H1, finding comparable performance to classical baselines. This marked the first time a scalable NLP model was run on quantum hardware – a remarkable advance.
The tree-like structure of quantum tensor models lends itself incredibly well to specific features inherent to our architecture such as mid-circuit measurement and qubit re-use, allowing us to squeeze big problems onto few qubits.
Since quantum theory is inherently described by tensor networks, this is another example of how fundamentally different quantum machine learning approaches can look – again, there is a sort of “intuitive” mapping of the tensor networks used to describe the NLP problem onto the tensor networks used to describe the operation of our quantum processors.
What we’ve learned so far
While it is still very early days, we have good indications that running AI on quantum hardware will be more energy efficient.
We recently published a result in “random circuit sampling”, a task used to compare quantum to classical computers. We beat the classical supercomputer in time to solution as well as energy use – our quantum computer cost 30,000x less energy to complete the task than Frontier, the classical supercomputer we compared against.
We may see, as our quantum AI models grow in power and size, that there is a similar scaling in energy use: it’s generally more efficient to use ~100 qubits than it is to use ~10^18 classical bits.
Another major insight so far is that quantum models tend to require significantly fewer parameters to train than their classical counterparts. In classical machine learning, particularly in large neural networks, the number of parameters can grow into the billions, leading to massive computational demands.
Quantum models, by contrast, leverage the unique properties of quantum mechanics to achieve comparable performance with a much smaller number of parameters. This could drastically reduce the energy and computational resources required to run these models.
The Path Ahead
As quantum computing hardware continues to improve, quantum AI models may increasingly complement or even replace classical systems. By leveraging quantum superposition, entanglement, and interference, these models offer the potential for significant reductions in both computational cost and energy consumption. With fewer parameters required, quantum models could make AI more sustainable, tackling one of the biggest challenges facing the industry today.
The work being done by Quantinuum reflects the start of the next chapter in AI, and one that is transformative. As quantum computing matures, its integration with AI has the potential to unlock entirely new approaches that are not only more efficient and performant but can also handle the full complexities of natural language. The fact that Quantinuum’s quantum computers are the most advanced in the world, and cannot be simulated classically, gives us a unique glimpse into a future.
The future of AI now looks very much to be quantum and Quantinuum’s Gen QAI system will usher in the era in which our work will have meaningful societal impact.
At this year’s Q2B Silicon Valley conference from December 10th – 12th in Santa Clara, California, the Quantinuum team will be participating in plenary and case study sessions to showcase our quantum computing technologies.
Schedule a meeting with us at Q2B
Meet our team at Booth #G9 to discover how Quantinuum is charting the path to universal, fully fault-tolerant quantum computing.
Join our sessions:
Tuesday, Dec 10, 10:00 - 10:20am PT
Plenary: Advancements in Fault-Tolerant Quantum Computation: Demonstrations and Results
There is industry-wide consensus on the need for fault-tolerant QPU’s, but demonstrations of these abilities are less common. In this talk, Dr. Hayes will review Quantinuum’s long list of meaningful demonstrations in fault-tolerance, including real-time error correction, a variety of codes from the surface code to exotic qLDPC codes, logical benchmarking, beyond break-even behavior on multiple codes and circuit families.
Wednesday, Dec 11, 4:30 – 4:50pm PT
Keynote: Quantum Tokens: Securing Digital Assets with Quantum Physics
Mitsui’s Deputy General Manager, Quantum Innovation Dept., Corporate Development Div., Koji Naniwada, and Quantinuum’s Head of Cybersecurity, Duncan Jones will deliver a keynote presentation on a case study for quantum in cybersecurity. Together, our organizations demonstrated the first implementation of quantum tokens over a commercial QKD network. Quantum tokens enable three previously incompatible properties: unforgeability guaranteed by physics, fast settlement without centralized validation, and user privacy until redemption. We present results from our successful Tokyo trial using NEC's QKD commercial hardware and discuss potential applications in financial services.
Wednesday, Dec 11, 5:10 – 6:10pm PT
Quantinuum and Mitsui Sponsored Happy Hour
Join the Quantinuum and Mitsui teams in the expo hall for a networking happy hour.