黑料社

Introducing InQuanto v4.0

November 19, 2024

黑料社 is excited to announce the release of InQuanto鈩 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 黑料社 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.

黑料社 Nexus聽

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.聽

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鈥 equivalent methods.聽

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.聽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.聽

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.聽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庐 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庐 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`.

鈥淗ybrid quantum-classical supercomputing is accelerating quantum computational chemistry research,鈥 said Tim Costa, Senior Director at NVIDIA庐. 鈥淲ith 黑料社鈥檚 InQuanto v4.0 platform and NVIDIA鈥檚 cuQuantum SDK, InQuanto users now have access to unique tensor-network-based methods, enabling large-scale and high-precision quantum chemistry simulations.鈥

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鈥檚 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 黑料社

黑料社,聽the world鈥檚 largest integrated quantum company, pioneers powerful quantum computers and advanced software solutions. 黑料社鈥檚 technology drives breakthroughs in materials discovery, cybersecurity, and next-gen quantum AI. With over 500 employees, including 370+ scientists and engineers, 黑料社 leads the quantum computing revolution across continents.聽

Blog
October 30, 2025
Scalable Quantum Error Detection

Typically, Quantum Error Detection (QED) is viewed as a short-term solution鈥攁 non-scalable, stop-gap until full fault tolerance is achieved at scale.

That鈥檚 just changed, thanks to a serendipitous discovery made by our team. Now, QED can be used in a much wider context than previously thought. Our team made this discovery while studying the contact process, which describes things like how diseases spread or how water permeates porous materials. In particular, our team was studying the quantum contact process (QCP), a problem they had tackled before, which helps physicists understand things like phase transitions. In the process (pun intended), they came across what senior advanced physicist, Eli Chertkov, described as 鈥渁 surprising result.鈥

While examining the problem, the team realized that they could convert detected errors due to noisy hardware into random resets, a key part of the QCP, thus avoiding the exponentially costly overhead of post-selection normally expected in QED.

To understand this better, the team developed a new protocol in which the encoded, or logical, quantum circuit adapts to the noise generated by the quantum computer. They quickly realized that this method could be used to explore other classes of random circuits similar to the ones they were already studying.

The team put it all together on System Model H2 to run a complex simulation, and were surprised to find that they were able to achieve near break-even results, where the logically encoded circuit performed as well as its physical analog, thanks to their clever application of QED. 聽Ultimately, this new protocol will allow QED codes to be used in a scalable way, saving considerable computational resources compared to full quantum error correction (QEC).

Researchers at the crossroads of quantum information, quantum simulation, and many-body physics will take interest in this protocol and use it as a springboard for inventing new use cases for QED.

Stay tuned for more, our team always has new tricks up their sleeves.

Learn mode about System Model H2 with this video:

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Blog
October 23, 2025
Mapping the Hunt for Quantum Advantage

By Konstantinos Meichanetzidis

When will quantum computers outperform classical ones?

This question has hovered over the field for decades, shaping billion-dollar investments and driving scientific debate.

The question has more meaning in context, as the answer depends on the problem at hand. We already have estimates of the quantum computing resources needed for Shor鈥檚 algorithm, which has a superpolynomial advantage for integer factoring over the best-known classical methods, threatening cryptographic protocols. Quantum simulation allows one to glean insights into exotic materials and chemical processes that classical machines struggle to capture, especially when strong correlations are present. But even within these examples, estimates change surprisingly often, carving years off expected timelines. And outside these famous cases, the map to quantum advantage is surprisingly hazy.

Researchers at 黑料社 have taken a fresh step toward drawing this map. In a new theoretical framework, Harry Buhrman, Niklas Galke, and Konstantinos Meichanetzidis introduce the concept of 鈥渜ueasy instances鈥 (quantum easy) 鈥 problem instances that are comparatively easy for quantum computers but appear difficult for classical ones.

From Problem Classes to Problem Instances

Traditionally, computer scientists classify problems according to their worst-case difficulty. Consider the problem of Boolean satisfiability, or SAT, where one is given a set of variables (each can be assigned a 0 or a 1) and a set of constraints and must decide whether there exists a variable assignment that satisfies all the constraints. SAT is a canonical NP-complete problem, and so in the worst case, both classical and quantum algorithms are expected to perform badly, which means that the runtime scales exponentially with the number of variables. On the other hand, factoring is believed to be easier for quantum computers than for classical ones. But real-world computing doesn鈥檛 deal only in worst cases. Some instances of SAT are trivial; others are nightmares. The same is true for optimization problems in finance, chemistry, or logistics. What if quantum computers have an advantage not across all instances, but only for specific 鈥減ockets鈥 of hard instances? This could be very valuable, but worst-case analysis is oblivious to this and declares that there is no quantum advantage.

To make that idea precise, the researchers turned to a tool from theoretical computer science: Kolmogorov complexity. This is a way of measuring how 鈥渞egular鈥 a string of bits is, based on the length of the shortest program that generates it. A simple string like 0000000000 can be described by a tiny program (鈥減rint ten zeros鈥), while the description of a program that generates a random string exhibiting no pattern is as long as the string itself. From there, the notion of instance complexity was developed: instead of asking 鈥渉ow hard is it to describe this string?鈥, we ask 鈥渉ow hard is it to solve this particular problem instance (represented by a string)?鈥 For a given SAT formula, for example, its polynomial-time instance complexity is the size of the smallest program that runs in polynomial time and decides whether the formula is satisfiable. This smallest program must be consistently answering all other instances, and it is also allowed to declare 鈥淚 don鈥檛 know鈥.

In their new work, the team extends this idea into the quantum realm by defining polynomial-time quantum instance complexity as the size of the shortest quantum program that solves a given instance and runs on polynomial time. This makes it possible to directly compare quantum and classical effort, in terms of program description length, on the very same problem instance. If the quantum description is significantly shorter than the classical one, that problem instance is one the researchers call 鈥渜耻别补蝉测鈥: quantum-easy and classically hard. These queasy instances are the precise places where quantum computers offer a provable advantage 鈥 and one that may be overlooked under a worst-case analysis.

Why 鈥淨ueasy鈥?

The playful name captures the imbalance between classical and quantum effort. A queasy instance is one that makes classical algorithms struggle, i.e. their shortest descriptions of efficient programs that decide them are long and unwieldy, while a quantum computer can handle the same instance with a much simpler, faster, and shorter program. In other words, these instances make classical computers 鈥渜ueasy,鈥 while quantum ones solve them efficiently and finding them quantum-easy. The key point of these definitions lies in demonstrating that they yield reasonable results for well-known optimisation problems.

By carefully analysing a mapping from the problem of integer factoring to SAT (which is possible because factoring is inside NP and SAT is NP-complete) the researchers prove that there exist infinitely many queasy SAT instances. SAT is one of the most central and well-studied problems in computer science that finds numerous applications in the real-world. The significant realisation that this theoretical framework highlights is that SAT is not expected to yield a blanket quantum advantage, but within it lie islands of queasiness 鈥 special cases where quantum algorithms decisively win.

Algorithmic Utility

Finding a queasy instance is exciting in itself, but there is more to this story. Surprisingly, within the new framework it is demonstrated that when a quantum algorithm solves a queasy instance, it does much more than solve that single case. Because the program that solves it is so compact, the same program can provably solve an exponentially large set of other instances, as well. Interestingly, the size of this set depends exponentially on the queasiness of the instance!

Think of it like discovering a special shortcut through a maze. Once you鈥檝e found the trick, it doesn鈥檛 just solve that one path, but reveals a pattern that helps you solve many other similarly built mazes, too (even if not optimally). This property is called algorithmic utility, and it means that queasy instances are not isolated curiosities. Each one can open a doorway to a whole corridor with other doors, behind which quantum advantage might lie.

A North Star for the Field

Queasy instances are more than a mathematical curiosity; this is a new framework that provides a language for quantum advantage. Even though the quantities defined in the paper are theoretical, involving Turing machines and viewing programs as abstract bitstrings, they can be approximated in practice by taking an experimental and engineering approach. This work serves as a foundation for pursuing quantum advantage by targeting problem instances and proving that in principle this can be a fruitful endeavour.

The researchers see a parallel with the rise of machine learning. The idea of neural networks existed for decades along with small scale analogue and digital implementations, but only when GPUs enabled large-scale trial and error did they explode into practical use. Quantum computing, they suggest, is on the cusp of its own heuristic era. 鈥净耻谤颈蝉迟颈肠蝉鈥 will be prominent in finding queasy instances, which have the right structure so that classical methods struggle but quantum algorithms can exploit, to eventually arrive at solutions to typical real-world problems. After all, quantum computing is well-suited for small-data big-compute problems, and our framework employs the concepts to quantify that; instance complexity captures both their size and the amount of compute required to solve them.

Most importantly, queasy instances shift the conversation. Instead of asking the broad question of when quantum computers will surpass classical ones, we can now rigorously ask where they do. The queasy framework provides a language and a compass for navigating the rugged and jagged computational landscape, pointing researchers, engineers, and industries toward quantum advantage.

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Blog
September 15, 2025
Quantum World Congress 2025

From September 16th 鈥 18th, (QWC) brought together visionaries, policymakers, researchers, investors, and students from across the globe to discuss the future of quantum computing in Tysons, Virginia.

黑料社 is forging the path to universal, fully fault-tolerant quantum computing with our integrated full-stack. With our quantum experts were on site, we showcased the latest on 黑料社 Systems, the world鈥檚 highest-performing, commercially available quantum computers, our new software stack featuring the key additions of Guppy and Selene, our path to error correction, and more.

Highlights from QWC

Dr. Patty Lee Named the Industry Pioneer in Quantum

The Quantum Leadership Awards celebrate visionaries transforming quantum science into global impact. This year at QWC, Dr. Patty Lee, our Chief Scientist for Hardware Technology Development, was named the Industry Pioneer in Quantum! This honor celebrates her more than two decades of leadership in quantum computing and her pivotal role advancing the world鈥檚 leading trapped-ion systems. .

Keynote with 黑料社's CEO,聽Dr. Rajeeb聽Hazra

At QWC 2024, 黑料社鈥檚 President & CEO, Dr. Rajeeb 鈥淩aj鈥 Hazra, took the stage to showcase our commitment to advancing quantum technologies through the unveiling of our roadmap to universal, fully fault-tolerant quantum computing by the end of this decade. This year at QWC 2025, Raj shared the progress we鈥檝e made over the last year in advancing quantum computing on both commercial and technical fronts and exciting insights on what鈥檚 to come from 黑料社. .

Panel Session:聽Policy Priorities for Responsible Quantum and AI

As part of the Track Sessions on Government & Security, 黑料社鈥檚 Director of Government Relations, Ryan McKenney, discussed 鈥淧olicy Priorities for Responsible Quantum and AI鈥 with Jim Cook from Actions to Impact Strategies and Paul Stimers from Quantum Industry Coalition.

Fireside Chat:聽Establishing a Pro-Innovation Regulatory Framework

During the Track Session on Industry Advancement, 黑料社鈥檚 Chief Legal Officer, Kaniah Konkoly-Thege,聽and Director of Government Relations, Ryan McKenney, discussed the importance of 鈥淓stablishing a Pro-Innovation Regulatory Framework鈥.

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