Introducing InQuanto v4.0
The latest version of our advanced quantum computational chemistry platform
ĢƵ is excited to announce the release of InQuanto™ v4.0, the latest version of our advanced quantum computational chemistry software. This update introduces new features and significant performance improvements, designed to help both industry and academic researchers accelerate their computational chemistry work.
If you're new to InQuanto or want to learn more about how to use it, we encourage you to explore our documentation.
InQuanto v4.0 is being released alongside ĢƵ Nexus, our cloud-based platform for quantum software. Users with Nexus access can leverage the `inquanto-nexus` extension to, for example, take advantage of multiple available backends and seamless cloud storage.
In addition, InQuanto v4.0 introduces enhancements that allow users to run larger chemical simulations on quantum computers. Systems can be easily imported from classical codes using the widely supported FCIDUMP file format. These fermionic representations are then efficiently mapped to qubit representations, benefiting from performance improvements in InQuanto operators. For systems too large for quantum hardware experiments, users can now utilize the new `inquanto-cutensornet` extension to run simulations via tensor networks.
These updates enable users to compile and execute larger quantum circuits with greater ease, while accessing powerful compute resources through Nexus.
ĢƵ Nexus
InQuanto v4.0 is fully integrated with via the `inquanto-nexus` extension. This integration allows users to easily run experiments across a range of quantum backends, from simulators to hardware, and access results stored in Nexus cloud storage.
Results can be annotated for better searchability and seamlessly shared with others. Nexus also offers the Nexus Lab, which provides a preconfigured Jupyter environment for compiling circuits and executing jobs. The Lab is set up with InQuanto v4.0 and a full suite of related software, enabling users to get started quickly.
Enhanced Operator Performance
The `inquanto.mappings` submodule has received a significant performance enhancement in InQuanto v4.0. By integrating a set of operator classes written in C++, the team has increased the performance of the module past that of other open-source packages’ equivalent methods.
Like any other Python package, InQuanto can benefit from delegating tasks with high computational overhead to compiled languages such as C++. This prescription has been applied to the qubit encoding functions of the `inquanto.mappings` submodule, in which fermionic operators are mapped to their qubit operator equivalents. One such qubit encoding scheme is the Jordan-Wigner (JW) transformation. With respect to JW encoding as a benchmarking task, the integration of C++ operator classes in InQuanto v4.0 has yielded an execution time speed-up of two and a half times that of open-source competitors (Figure 1).
Figure 1. Performance comparison of Jordan Wigner (JW) operator mappings for LiH molecule in several basis sets of increasing size.
This is a substantial increase in performance that all users will benefit from. InQuanto users will still interact with the familiar Python classes such as `FermionOperator` and `QubitOperator` in v4.0. However, when the `mappings` module is called, the Python operator objects are converted to C++ equivalents and vice versa before and after the qubit encoding procedure (Figure 2). With future total integration of C++ operator classes, we can remove the conversion step and push the performance of the `mappings` module further. Tests, once again using the JW mappings scheme, show a 40 times execution time speed-up as compared to open-source competitors (Figure 1).
Figure 2. Representation of the conversion step from Python objects to C++ objects in the qubit encoding processes handled by the `inquanto.mappings` submodule in InQuanto v4.0.
Efficient classical pre-processing implementations such as this are a crucial step on the path to quantum advantage. As the number of physical qubits available on quantum computers increases, so will the size and complexity of the physical systems that can be simulated. To support this hardware upscaling, computational bottlenecks including those associated with the classical manipulation of operator objects must be alleviated. Aside from keeping pace with hardware advancements, it is important to enlarge the tractable system size in situations that do not involve quantum circuit execution, such as tensor network circuit simulation and resource estimation.
Leveraging Tensor Networks
Users with access to GPU capabilities can now take advantage of tensor networks to accelerate simulations in InQuanto v4.0. This is made possible by the `inquanto-cutensornet` extension, which interfaces InQuanto with the NVIDIA® cuTensorNet library. The `inquanto-cutensornet` extension leverages the `pytket-cutensornet` , which facilitates the conversion of `pytket` circuits into tensor networks to be evaluated using the NVIDIA® cuTensorNet library. This extension increases the size limit of circuits that can be simulated for chemistry applications. Future work will seek to integrate this functionality with our Nexus platform, allowing InQuanto users to employ the extension without requiring access to their own local GPU resources.
Here we demonstrate the use of the `CuTensorNetProtocol` passed to a VQE experiment. For the sake of brevity, we use the `get_system` method of `inquanto.express` to swiftly define the system, in this case H2 using the STO-3G basis-set.
from inquanto.algorithms import AlgorithmVQE
from inquanto.ansatzes import FermionSpaceAnsatzUCCD
from inquanto.computables import ExpectationValue, ExpectationValueDerivative
from inquanto.express import get_system
from inquanto.mappings import QubitMappingJordanWigner
from inquanto.minimizers import MinimizerScipy
from inquanto.extensions.cutensornet import CuTensorNetProtocol
fermion_hamiltonian, space, state = get_system("h2_sto3g.h5")
qubit_hamiltonian = fermion_hamiltonian.qubit_encode()
ansatz = FermionSpaceAnsatzUCCD(space, state, QubitMappingJordanWigner())
expectation_value = ExpectationValue(ansatz, qubit_hamiltonian)
gradient_expression = ExpectationValueDerivative(
ansatz, qubit_hamiltonian, ansatz.free_symbols_ordered()
)
protocol_tn = CuTensorNetProtocol()
vqe_tn = (
AlgorithmVQE(
objective_expression=expectation_value,
gradient_expression=gradient_expression,
minimizer=MinimizerScipy(),
initial_parameters=ansatz.state_symbols.construct_zeros(),
)
.build(protocol_objective=protocol_tn, protocol_gradient=protocol_tn)
.run()
)
print(vqe_tn.generate_report()["final_value"])
# -1.136846575472054
The inherently modular design of InQuanto allows for the seamless integration of new extensions and functionality. For instance, a user can simply modify existing code using `SparseStatevectorProtocol` to enable GPU acceleration through `inquanto-cutensornet`. It is worth noting that the extension is also compatible with shot-based simulation via the `CuTensorNetShotsBackend` provided by `pytket-cutensornet`.
“Hybrid quantum-classical supercomputing is accelerating quantum computational chemistry research,” said Tim Costa, Senior Director at NVIDIA®. “With ĢƵ’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.”
Classical Code Interface
As demonstrated by our `inquanto-pyscf` , we want InQuanto to easily interface with classical codes. In InQuanto v4.0, we have clarified integration with other classical codes such as Gaussian and Psi4. All that is required is an FCIDUMP file, which is a common output file for classical codes. An FCIDUMP file encodes all the one and two electron integrals required to set up a CI Hamiltonian. Users can bring their system from classical codes by passing an FCIDUMP file to the `FCIDumpRestricted` class and calling the `to_ChemistryRestrictedIntegralOperator` method or its unrestricted counterpart, depending on how they wish to treat spin. The resulting InQuanto operator object can be used within their workflow as they usually would.
Exposing TKET Compilation
Users can experiment with TKET’s latest circuit compilation tools in a straightforward manner with InQuanto v4.0. Circuit compilation now only occurs within the `inquanto.protocols` module. This allows users to define which optimization passes to run before and/or after the backend specific defaults, all in one line of code. Circuit compilation is a crucial step in all InQuanto workflows. As such, this structural change allows us to cleanly integrate new functionality through extensions such as `inquanto-nexus` and `inquanto-cutensornet`. Looking forward, beyond InQuanto v4.0, this change is a positive step towards bringing quantum error correction to InQuanto.
Conclusion
InQuanto v4.0 pushes the size of the chemical systems that a user can simulate on quantum computers. Users can import larger, carefully constructed systems from classical codes and encode them to optimized quantum circuits. They can then evaluate these circuits on quantum backends with `inquanto-nexus` or execute them as tensor networks using `inquanto-cutensornet`. We look forward to seeing how our users leverage InQuanto v4.0 to demonstrate the increasing power of quantum computational chemistry. If you are curious about InQuanto and want to read further, our initial release is very informative or visit the InQuanto website.
How to Access InQuanto
If you are interested in trying InQuanto, please request access or a demo at inquanto@quantinuum.com
About ĢƵ
ĢƵ, the world’s largest integrated quantum company, pioneers powerful quantum computers and advanced software solutions. ĢƵ’s technology drives breakthroughs in materials discovery, cybersecurity, and next-gen quantum AI. With over 500 employees, including 370+ scientists and engineers, ĢƵ leads the quantum computing revolution across continents.
- University of Southern Denmark (SDU) to use ĢƵ Helios, supported by the Danish e-Infrastructure Consortium (DeiC)
- Access to Helios enables SDU to test and refine fault-tolerant algorithms and error-correction codes under realistic hardware conditions
- The collaboration supports at a scale of 48 logical qubits, positioning Denmark at the forefront of scalable, practical quantum computing
- Researchers exploring the scientific foundations for future development of applications in fields including pharmaceuticals, finance, and defense
Progress in quantum computing is measured by hardware advances plus the algorithms and quantum error-correction codes that turn quantum systems into useful computational tools.
Thanks to recent hardware advances, researchers are increasingly sharpening their tools to probe the performance of quantum algorithms and understand how they behave in realistic conditions – where stability, system architecture and algorithm design all shape performance.
A new Denmark-based collaboration between the University of Southern Denmark (SDU), ĢƵ, and the Danish e-Infrastructure Consortium (DeiC) will utilize ĢƵ Helios. Researchers at the SDU’s Centre for Quantum Mathematics, led by Jørgen Ellegaard Andersen, will use Helios to pursue research into topological quantum computing.
Their work could help explain how and why successful quantum algorithms perform as they do, informing the development of high-performance algorithms suited to emerging quantum systems. They’re exploring the scientific foundations that support future quantum applications across areas including pharmaceuticals, finance, and defense.
“We are thrilled to gain access to ĢƵ’s high-fidelity Helios system. This collaboration gives us a unique opportunity to test the limits of our algorithms and evaluate system performance, while advancing fundamental research and laying the foundation for future applications.”
— Professor Jørgen Ellegaard Andersen, Director of the Centre for Quantum Mathematics at University of Southern Denmark
Why topological methods matter
Topological quantum computing is an area of research that connects quantum computation with deep mathematical structures. It includes the study of error correcting codes known as surface codes that encode quantum information in the global properties of systems of logical qubits.
The research team will explore how these codes behave, and how they may support the development of fault-tolerant quantum algorithms in practical implementations under realistic conditions.
This distinction between theory and practical implementation matters. In theory, topological approaches offer a rich framework for designing algorithms and error-correcting codes. In practice, researchers need to understand how those ideas perform when implemented on real systems, where questions of noise, stability, overhead, and scaling become central. The collaboration will allow the SDU team to investigate these questions directly.
New ways to benchmark quantum processors
Beyond individual algorithms and codes, the research will also develop tools for benchmarking quantum processors. The goal is to develop new ways to characterize fidelity and stability in regimes that can be difficult to access.
The team will also explore hybrid quantum–classical approaches, including machine-learning techniques assisted by quantum hardware, to study the mathematical structures at the heart of topological quantum computing. This work reflects a broader field of research in which quantum and classical methods are used together, each contributing to parts of a computational problem.
Strengthening Denmark’s quantum ecosystem
The collaboration reflects the growing role of national quantum infrastructure in supporting research and talent development. Denmark has a long tradition of scientific innovation, and this collaboration is intended to support the country’s continued development in quantum technology.
The initiative is supported by DeiC, which played a central role in securing funding and enabling access to ĢƵ’s systems. DeiC has been assigned a particular role in developing and coordinating quantum infrastructure initiatives for the benefit of universities and industry, operating without its own commercial, sectoral, or geographical interests. This includes securing dedicated access to quantum computers, producing advisory services and supporting the development of new talent in the Danish quantum sector.
“DeiC’s special effort to secure funding and access for this research initiative is rooted in our organization’s role in relation to the Danish Government’s strategy for quantum technology.”
— Henrik Navntoft Sønderskov, Head of Quantum at Danish e-Infrastructure Consortium
This collaboration promises to accelerate the development of practical algorithms. It is grounded in fundamental science – but its focus is practical: discovering and testing mathematical approaches to topological quantum computing that can be implemented, evaluated, and improved on real quantum hardware.
That work requires both theoretical insight and access to a system such as Helios capable of supporting meaningful scientific work.
This month, ĢƵ welcomed its global user community to the first-ever Q-Net Connect, an annual forum designed to spark collaboration, share insights, and accelerate innovation across our full-stack quantum computing platforms. Over two days, users came together not only to learn from one another, but to build the relationships and momentum that we believe will help define the next chapter of quantum computing.
Q-Net Connect 2026 drew over 170 attendees from around the world to Denver, Colorado, including representatives from commercial enterprises and startups, academia and research institutions, and the public sector and non-profits - all users of ĢƵ systems.
The program was packed with inspiring keynotes, technical tracks, and customer presentations. Attendees heard from leaders at ĢƵ, as well as our partners at NVIDIA, JPMorganChase and BlueQubit; professors from the University of New Mexico, the University of Nottingham and Harvard University; national labs, including NIST, Oak Ridge National Laboratory, Sandia National Laboratories and Los Alamos National Laboratory; and other distinguished guests from across the global quantum ecosystem.
Congratulations to Q-Net Connect 2026 Award Recipients!
The mission of the ĢƵ Q-Net user community is to create a space for shared learning, collaboration and connection for those who adopt ĢƵ’s hardware, software and middleware platform. At this year’s Q-Net Connect, we awarded four organizations who made notable efforts to champion this effort.
- JPMorganChase received the ‘Guppy Adopter Award’ for their exemplary adoption of our quantum programming language, Guppy, in their research workflows.
- Phasecraft, a UK and US-based quantum algorithms startup, received the ‘Rising Star’ award for demonstrating exceptional early impact and advancing science using ĢƵ hardware, which they published in a December 2025 .
- Qedma, a quantum software startup, received the ‘Startup Partner Engagement’ award for their sustained engagement with ĢƵ platforms dating back to our first commercially deployed quantum computer, H1.
- Anna Dalmasso from the University of Nottingham received our ‘New Student Award’ for her impressive debut project on ĢƵ hardware and for delivering outstanding results as a new Q-Net student user.
Congratulations, again, and thank you to everyone who contributed to the success of the first Q-Net Connect!
Become a Q-Net Member
Q-Net offers year‑round support through user access, developer tools, documentation, trainings, webinars, and events. Members enjoy many exclusive benefits, including being the first to hear about exclusive content, publications and promotional offers.
By joining the community, you will be invited to exclusive gatherings to hear about the latest breakthroughs and connect with industry experts driving quantum innovation. Members also get access to Q‑Net Connect recordings and stay connected for future community updates.
In a follow-up to our recent work with Hiverge using AI to discover algorithms for quantum chemistry, we’ve teamed up with Hiverge, Amazon Web Services (AWS) and NVIDIA to explore using AI to improve algorithms for combinatorial optimization.
With the rapid rise of Large Language Models (LLMs), people started asking “what if AI agents can serve as on-demand algorithm factories?” We have been working with Hiverge, an algorithm discovery company, AWS, and NVIDIA, to explore how LLMs can accelerate quantum computing research.
Hiverge – named for Hive, an AI that can develop algorithms – aims to make quantum algorithm design more accessible to researchers by translating high-level problem descriptions in mostly natural language into executable quantum circuits. The Hive takes the researcher’s initial sketch of an algorithm, as well as special constraints the researcher enumerates, and evolves it to a new algorithm that better meets the researcher’s needs. The output is expressed in terms of a familiar programming language, like Guppy or , making it particularly easy to implement.
The AI is called a “Hive” because it is a collective of LLM agents, all of whom are editing the same codebase. In this work, the Hive was made up of LLM powerhouses such as Gemini, ChatGPT, Claude, Llama, as well as which was accessed through AWS’ Amazon Bedrock service. Many models are included because researchers know that diversity is a strength – just like a team of human researchers working in a group, a variety of perspectives often leads to the strongest result.
Once the LLMs are assembled, the Hive calls on them to do the work writing the desired algorithm; no new training is required. The algorithms are then executed and their ‘fitness’ (how well they solve the problem) is measured. Unfit programs do not survive, while the fittest ones evolve to the next generation. This process repeats, much like the evolutionary process of nature itself.
After evolution, the fittest algorithm is selected by the researchers and tested on other instances of the problem. This is a crucial step as the researchers want to understand how well it can generalize.
In this most recent work, the joint team explored how AI can assist in the discovery of heuristic quantum optimization algorithms, a class of algorithms aimed at improving efficiency across critical workstreams. These span challenges like optimal power grid dispatch and storage placement, arranging fuel inside nuclear reactors, and molecular design and reaction pathway optimization in drug, material, and chemical discovery—where solutions could translate into maximizing operational efficiency, dramatic reduction in costs, and rapid acceleration in innovation.
In other AI approaches, such as reinforcement learning, models are trained to solve a problem, but the resulting "algorithm" is effectively ‘hidden’ within a neural network. Here, the algorithm is written in Guppy or CUDA-Q (or Python), making it human-interpretable and easier to deploy on new problem instances.
This work leveraged the NVIDIA CUDA-Q platform, running on powerful NVIDIA GPUs made accessible by AWS. It’s state-of-the art accelerated computing was crucial; the research explored highly complex problems, challenges that lie at the edge of classical computing capacity. Before running anything on ĢƵ’s quantum computer, the researchers first used NVIDIA accelerated computing to simulate the quantum algorithms and assess their fitness. Once a promising algorithm is discovered, it could then be deployed on quantum hardware, creating an exciting new approach for scaling quantum algorithm design.
More broadly, this work points to one of many ways in which classical compute, AI, and quantum computing are most powerful in symbiosis. AI can be used to improve quantum, as demonstrated here, just as quantum can be used to extend AI. Looking ahead, we envision AI evolving programs that express a combination of algorithmic primitives, much like human mathematicians, such as Peter Shor and Lov Grover, have done. After all, both humans and AI can learn from each other.