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 , and . 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, ԹϺ 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 ԹϺ’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 ԹϺ 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 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 using AQE and ԹϺ 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 ԹϺ Systems and third-party hardware and emulators, visit: /products-solutions/inquanto
To get started with ԹϺ Nexus, which meets all your quantum computing needs across ԹϺ Systems and third-party backends, visit: /products-solutions/nexus
To find out more and access ԹϺ Systems, visit: /products-solutions/quantinuum-systems
About ԹϺ
ԹϺ,the world’s largest integrated quantum company, pioneers powerful quantum computers and advanced software solutions. ԹϺ’s technology drives breakthroughs in materials discovery, cybersecurity, and next-gen quantum AI. With over 500 employees, including 370+ scientists and engineers, ԹϺ leads the quantum computing revolution across continents.
Every year, APS Global Physics Summit brings together scientific community members from around the world across all disciplines of physics.
Join ԹϺ at this year’s conference, taking place in our backyard, Denver, Colorado, from March 15th – 20th, where we will showcase how our quantum hardware, software, and partnerships are helping define the next era of high-performance and quantum computing.
Find our team at booth #1020 and join our sessions below to discover how we’re advancing quantum technologies and building the bridge between HPC and quantum.
Monday, March 16th
Speaker: Andrew Potter
Time: 10:12 – 10:48 am
Speaker: Charles Baldwin
Time: 12:36 – 12:48 pm
High-Fidelity Quantum operations in the Helios Barium-Ion Processor
Speaker: Anthony Ransford
Time: 4:18 – 4:30 pm
Speaker: Jem Guhit
Time: 4:42 – 4:54 pm
Speaker: Enrico Rinaldi
Time: 5:54 – 6:30 pm
Tuesday, March 17th
Speaker: Caroline Figgatt
Time: 8:00 – 8:12 am
Speaker: Adam Reed
Time: 8:12 – 8:24 am
Speaker: Konstantinos Meichanetzidis
Time: 8:48 – 9:00 am
Speaker: Colin Kennedy
Time: 9:00 - 9:12 am
Speaker: David Stephen
Time: 9:12 - 9:24 am
Speaker: Matthew DeCross
Time: 9:36 - 9:48 am
Speaker: Leigh Norris
Time: 10:00 - 10:12 am
Speaker: Andrew Guo
Time: 12:00 - 12:12 pm
Speaker: Carlo Alberto Gaggioli
Time: 3:30 - 3:42 pm
Wednesday, March 18th
Speaker: Michael Foss-Feig
Time: 8:36 - 9:12 am
Speaker: Michelle Wynne Sze
Time: 9:24 - 9:36 am
Speaker: Juan Pedersen
Time: 9:48 - 10:00 am
Speaker: Noah Berthusen
Time: 12:48 - 1:00 pm
When is enough enough? Efficient estimation of quantum properties by stopping early
Speaker: Oliver Hart
Time: 12:48 - 1:00 pm
Speaker: John Campora
Time: 1:48 - 2:24 pm
Speaker: Eli Chertkov
Time: 4:42 - 4:54 pm
Thursday, March 19th
Speaker: Shival Dasu
Time: 8:00 - 8:36 am
Speaker: Ross Hutson
Time: 8:36 - 8:48 am
Speaker: Victor Colussi
Time: 10:00 am
Speaker: Maxwell Urmey
Time: 12:00 - 12:36 pm
Speaker: Matteo Puviani
Time: 5:54 - 6:06 pm
Friday, March 20th
Speaker: Reza Haghshenas
Time: 8:36 - 8:48 am
Speaker: Imran Bashir
Time: 10:36 - 10:48 am
Speaker: Fabian Finger
Time: 12:36 - 12:48 pm
Speaker: Elijah Durso-Sabina
Time: 12:48 - 1:00 pm
Speaker: Natalie Brown
Time: 1:12 - 1:48 pm
Speaker: Anthony Ransford
Time: 2:24 - 3:00 pm
*All times in MT
In our latest paper, we’ve taken a big step toward large scale fault-tolerant quantum computing, squeezing up to 94 error-detected qubits (and 48 error-corrected qubits) out of just 98 physical qubits, a low-fat encoding that cuts overhead to the bone. With 64 of our logical qubits, we were able to simulate quantum magnetism at a scale that can be exceedingly difficult for classical computers.
The "holy grail" of quantum computing is universal fault-tolerance: the ability to correct errors faster than they occur during any computation. To realize this, we aim to create “logical qubits,” which are groups of entangled physical qubits that share quantum information in a way that protects it. Better protection leads to lower “logical” error rate and greater ability to solve complex problems.
However, it’s never that easy. An unofficial law of physics is “there’s no such thing as a free lunch”. Creating high quality, low error-rate logical qubits often costs many physical qubits, thus reducing the size of calculations you can run, despite your new, lower-than-ever error rates.
With our , we are thrilled to announce that we have hit a key milestone on the ԹϺ roadmap: an ultra-efficient method for creating logical qubits, extracting a whopping 48 error-corrected and 64 error-detected logical qubits out of just 98 physical qubits. Our logical qubits boasted better than “break-even” fidelity, beating their physical counterparts with lower error rates on several different fronts. And still that isn’t the end of the story: we used our 64 error-detected logical qubits in a large-scale quantum magnetism simulation, laying the groundwork for future studies of exotic interactions in materials.
Stacking Wins
To get this world-leading result, we employed a neat trick: ‘nesting’ super efficient quantum error-detecting codes together to make a new, ultra-efficient error-correcting code. Dr. DeCross, a primary author on the paper, said this nesting is like “braiding together ropes made out of ropes made out of ropes”. Physicists call this ‘code concatenation’, and you can think of it as adding layers of protection on top of each other.
To begin, we took the now-famous ‘iceberg code’, a quantum error detection code that gives an almost 1:1 ratio of physical qubits to logical qubits. The iceberg code only detects errors, however, which means that instead of actually correcting errors it lets you throw out bits where errors were detected. To make a code that could both detect and correct errors, we concatenated two iceberg codes together, giving a code that can correct small errors while still boasting a world-record 2:1 physical:logical ratio (physicists call this a “high encoding rate”).
The team then benchmarked the logical qubits, checking large system-scale operations and comparing them to their physical counterparts. This introduces a crucial hurdle to clear: oftentimes, researchers end up with logical qubits that perform *worse* than their physical counterparts. It’s critical that logical qubits actually beat physical ones, after all – that is the whole point!
Thanks to some clever circuit design and our natively high fidelities, the new logical qubits outperformed their physical counterparts in every test we performed, sometimes by a factor of 10 to 100.
Computing Logically
Of course, the whole point is to use our logical qubits for something useful, the ultimate measure of functionality. With 64 error-detected qubits, we performed a simulation of quantum magnetism; a crucial milestone that validates our roadmap.
The team took extra care to perform their simulation in 3 dimensions to best reflect the real-world (often, studies like this will only be in 1D or 2D to make them easier). Problems like this are both incredibly important for expanding our understanding of materials, but are also incredibly hard, as their complexity scales quickly. To make qubits interact as if they are in a 3D material when they are trapped in 2D inside the computer, we used our all-to-all connectivity, a feature that results from our movable qubits.
Maximizing Entanglement
Breaking the encoding rate record and performing a world-leading logical simulation wasn’t enough for the team. For their final feat, the team generated 94 error-detected logical qubits, and entangled them all in a special state called a “GHZ” state (also known as a ‘cat’ state, alluding to Schrödinger’s cat). GHZ states are often used by experts as a simple benchmark for showcasing quantum computing’s unique capacity to use entanglement across many qubits. Our best 94-logical qubit GHZ state boasted a fidelity of 94.9%, crushing its un-encoded counterpart.
Logical Qubits Are the New Normal
Taken together, these results show that we can suppress errors more effectively than ever before, proving that Helios is capable of delivering complex, high-fidelity operations that were previously thought to be years away. While the magnetism simulation was only error-detected, it showcases our ability to protect universal computations with partially fault-tolerant methods. On top of that, the team also demonstrated key error-corrected primitives on Helios at scale.
All of this has real-world implications for the quantum ecosystem: we are working to package these iceberg codes into QCorrect, an upcoming tool that will help developers automatically improve the performance of their own applications.
This is just the beginning: we are officially entering the era of large-scale logical computing. The path to fault-tolerance is no longer just theoretical—it is being built, gate by gate, on Helios.
Japan has made bold, strategic investments in both high-performance computing (HPC) and quantum technologies. As these capabilities mature, an important question arises for policymakers and research leaders: how do we move from building advanced machines to demonstrating meaningful, integrated use?
Last year, ԹϺ installed its Reimei quantum computer at a world-class facility in Japan operated by RIKEN, the country’s largest comprehensive research institution. The system was integrated with Japan’s famed supercomputer Fugaku, one of the most powerful in the world, as part of an ambitious national project commissioned by the New Energy and Industrial Technology Development Organization (NEDO), the national research and development entity under the Ministry of Economy, Trade and Industry.
Now, for the first time, a full scientific workflow has been executed across Fugaku, one of the world’s most powerful supercomputers, and Reimei, our trapped-ion quantum computer. This marks a transition from infrastructure development to practical deployment.
Quantum Biology
In this first foray into hybrid HPC-quantum computation, the team explored chemical reactions that occur inside biomolecules such as proteins. Reactions of this type are found throughout biology, from enzyme functions to drug interactions.
Simulating such reactions accurately is extremely challenging. The region where the chemical reaction occurs—the “active site”—requires very high precision, because subtle electronic effects determine the outcome. At the same time, this active site is embedded within a much larger molecular environment that must also be represented, though typically at a lower level of detail.
To address this complexity, computational chemistry has long relied on layered approaches, in which different parts of a system are treated with different methods. In our work, we extended this concept into the hybrid computing era by combining classical supercomputing with quantum computing.
Shifting the Paradigm
While the long-term goal of quantum computing is to outperform classical approaches alone, the purpose of this project was to demonstrate a fully functional hybrid system working as an end-to-end platform for real scientific applications. We believe it is not enough to develop hardware in isolation – we must also build workflows where classical and quantum resources create a whole that is greater than the parts. We believe this is a crucial step for our industry; large-scale national investments in quantum computing must ultimately show how the technology can be embedded within existing research infrastructure.
In this work, the supercomputer Fugaku handled geometry optimization and baseline electronic structure calculations. The quantum computer Reimei was used to enhance the treatment of the most difficult electronic interactions in the active site, those that are known to challenge conventional approximate methods. The entire process was coordinated through ԹϺ’s workflow system , which allows jobs to move efficiently between machines.
Hybrid Computation is Now an Operational Reality
With this infrastructure in place, we are now poised to truly leverage the power of quantum computing. In this instance, the researchers designed the algorithm to specifically exploit the strengths of both the quantum and the classical hardware.
First, the classical computer constructs an approximate description of the molecular system. Then, the quantum computer is used to model the detailed quantum mechanics that the classical computer can’t handle. Together, this improves accuracy, extending the utility of the classical system.
A Path to Hybrid Advantage
Accurate simulation of biomolecular reactions remains one of the major challenges in biochemistry. Although the present study uses simplified systems to focus on methodology, it lays the groundwork for future applications in drug design, enzyme engineering, and photoactive biological systems.
While fully fault-tolerant, large-scale quantum computers are still under development, hybrid approaches allow today’s quantum hardware to augment powerful classical systems, such as Fugaku, to explore meaningful applications. As quantum technology matures, the same workflows can scale accordingly.
High-performance computing centers worldwide are actively exploring how quantum devices might integrate into their ecosystems. By demonstrating coordinated job scheduling, direct hardware access, and workflow orchestration across heterogeneous architectures, this work offers a concrete example of how such integration can be achieved.
As quantum hardware matures, we believe the algorithms and workflows developed here can be extended to increasingly realistic and industrially relevant problems. For Japan’s research ecosystem, this first application milestone signals that hybrid quantum–supercomputing is moving from ambition to implementation.