SCA2025: HPC and Quantum - Empowering AI, Science and Innovation

It is believed that unlocking answers to some of the most complex scientific and industrial problems will require the seamless integration of high-performance computing (HPC), generative AI (GenAI), and quantum computing. Toward this goal, Quantinuum, NVIDIA, and a major pharmaceutical company have successfully demonstrated the first step in a proof-of-principle framework designed to connect these three distinct computing paradigms for industrially relevant computational chemistry.

This milestone, enabled by three industry leaders and experts in their respective domains, serves as a foundational capability that could support the development of future hybrid quantum-AI workflows to help optimize industrial research and development (R&D).

The potential value is a path toward more automated, repeatable, and scalable workflows for translating chemistry problems into executable quantum programs—capabilities that could eventually make hybrid computing easier to deploy in industrial R&D.

The GenQAI Framework

The framework, termed Generative Quantum AI (GenQAI), involved a quantum computer simulating a pharmaceutical compound using programming instructions generated by an AI model, which itself was trained on quantum data that was simulated using HPC.

While the vision for GenQAI explores how future industrial simulation workflows might be optimized by training AI models using quantum data derived directly from a quantum computer, the framework currently consists of four main technical steps:

1. Simulating quantum data: The process began by simulating quantum data with NVIDIA accelerated computing using NVIDIA CUDA-Q.
2. Fine-tuning the AI: This simulated quantum data was used to fine-tune a pre-trained AI model from the open NVIDIA Nemotron family.
3. Generating instructions: The AI model then generated quantum circuits, which are the programming instructions required for the quantum simulation.
4. Validating accuracy: To validate the results, the circuits were run on Quantinuum’s Helios quantum computer using its InQuanto quantum chemistry platform.

The core novelty of this development lies within the process of the framework itself. In this proof-of-principle experiment, an AI model fine-tuned on simulated quantum data generated circuits that were successfully executed and validated on Quantinuum’s Helios system. Rather than delivering an immediate commercial advantage, this achievement establishes a credible, verifiable baseline for how HPC, AI, and quantum computing can function in tandem.

The Case Study

The validation of the framework represents an early step toward the goal of developing scalable architectures for the pharmaceutical industry.

With a shared view toward eventually scaling the framework for pharmaceutical R&D applications, the researchers simulated a pharmaceutical compound: imipramine. This anti-depressant was chosen because it serves as a model compound for drug degradation and shelf-life studies, which are standard components of the pharmaceutical R&D lifecycle.

Developing hybrid infrastructure that enterprises may adopt requires a deep, coordinated effort among domain experts. As such, this successful test highlights the value of combining the strengths of a quantum computing hardware and software leader (Quantinuum), with a hybrid-quantum classical platform (NVIDIA), and a leading enterprise end-user to build and test future computing capabilities for industrial chemistry.

Scaling the Framework

Although demonstrated on a pharmaceutical compound, the architecture could eventually inform similar molecular-simulation workflows in sectors such as energy, agriculture, advanced materials, and electronics. At this stage, it provides a reference for further testing and development.

Engage Further

Access the paper here to explore the full technical details of this demonstration and contact our team to learn more about joining Quantinuum’s enterprise partner network.

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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?