Spreading the Word About Quantum Computing
Senior Quantum Evangelist
Mark Jackson is a man on a mission. As Quantinuum’s senior quantum evangelist, Mark’s job is to create awareness and understanding about quantum computing and its world-changing potential. Based in New York, Mark holds a Ph.D. in theoretical physics from Columbia University with a background in mathematical modeling and computational physics. In 2017 he joined Cambridge Quantum, which combined with Honeywell Quantum Solutions to form Quantinuum in 2021. He has an academic background and remains an adjunct faculty member at Singularity University. He sat down earlier this month to talk about his unique job and the future of quantum computing.
Senior Quantum Evangelist is such a unique title. What does your job entail?
A lot of my job is speaking at conferences, doing interviews, participating in podcasts, and posting on social media. I focus on creating awareness and excitement for quantum computing, letting people know what we do at Quantinuum, and educating them about the ways this amazing technology will help solve complex problems and improve people’s lives.
Most people just don’t know much about quantum computing, or they have misunderstandings or reservations about the technology and its potential impact on society.
Half the people don’t believe quantum computers really exist yet. They think it’s some sort of science fiction idea that we’ve cooked up and, if it happens at all, it’ll be 20 years from now. They just can’t believe we have these computers today. The other half think quantum computers are just really fast computers. They believe we can take all our existing software and run it on a quantum computer, and it will be a million times faster. Neither is true, and it’s my job to educate people about what quantum computers can actually do to make the world better.
Over the past few years my role at Quantinuum has evolved a bit, and about a year ago they changed my title to “evangelist.” Technically, I’m now the “senior evangelist” because we recently added several other people to the team, which will help us do an even better job of spreading the word.
How will the use of quantum computers benefit society?
We anticipate we’re only 3–5 years away from being able to do things on a quantum computer that are truly valuable to society. That time will pass very quickly, which is why we’re encouraging companies to work with us right now to develop projects so that in a few years, when technology catches up, they’ll be in a good position to take advantage of opportunities.
The two nearest-term commercial applications for quantum computers are in chemistry and optimization, such as supply chain and logistics.
In chemistry, we have known the equations for 100 years. If you give me a molecule, I know exactly what the molecule is made of — I know how many electrons, protons and neutrons are in it, and I know the equations governing all their interactions. But, solving those equations and actually figuring out the behavior of the molecule is very difficult because, as a molecule gets bigger, there are so many interactions that tracking them quickly overwhelms a conventional computer. Quantum computers are expected to one day solve these chemical equations easier and faster.
For example, pharmaceutical companies could use this technology to design medicine. Right now, there is a lot of guesswork in developing a drug. Scientists can do a little preliminary work on a computer, but then they must synthesize a lot of trial drugs followed by testing on humans.
Developing drugs this way is expensive, time consuming, and risky. In general, it takes about 10 years and $1 billion dollars to bring a drug to market. It would be ideal if scientists could do more work on a computer up front, which will save time and money and be less risky for patients.
Additionally, quantum computing will be invaluable for the machine-learning industry. Artificial intelligence is used everywhere. Your Netflix recommendations use AI machine-learning, and while this may not be lifechanging, advanced autopilot technology on an airplane or in a driverless car will be. Quantum computers one day could have the power, speed, and capacity to take machine-learning to a whole new level.
How did you end up working for Quantinuum?
I started hearing about quantum computing in 2017 and thought it sounded amazing. This field of study didn’t even exist when I was a student.
My background is in theoretical physics. For 15 years I worked in string theory and cosmology. Several years ago, I decided to leave academia and pursue other interests. I was very fortunate to be introduced to Ilyas Khan, founder of Cambridge Quantum and now CEO of Quantinuum, and he asked me to join the team about five years ago.
I was the first American hire at Cambridge Quantum, which was then a small start-up company with only about 30 people. The organization was comprised of all scientists until I joined. I was the first person to be hired whose main objective was business development.
Why is your job as an evangelist important to Quantinuum?
We can have the most amazing technology in the world, but if no one knows about it, then it doesn’t do anyone much good. There is a lot of misunderstanding and unfamiliarity that surrounds this industry currently, which is why my job of creating awareness is so important.
I get to talk to university students and researchers and let them know we have software they can use for free to help them code better. I am very lucky to have an academic background in physics because when I speak at these universities, the professors sometimes let me take over the class for a day. I don’t think they would grant the same access to a salesperson. I love to talk about the cool things we have done and are doing with these students and share ways we can partner and collaborate both now and in the future.
We want to build our hiring pipeline with the smartest and most creative young minds available. Hiring is a top priority, and job candidates may not know there are such amazing job opportunities at Quantinuum and throughout this exciting industry.
How has the industry changed in the last five years?
When I started, there were 8–10 credible quantum computing startups, including us. We were all pretty small with just a few dozen employees at the time.
Now, it seems like there’s a new company forming, a new investment, or a technical breakthrough in hardware or software every week. There are quantum information sciences degrees and programs in college now including quantum computing and closely related sciences. It’s dizzying to keep up with everything.
Today, there are roughly 400 quantum companies, building quantum products all over the world. Companies are also increasing in size. Our company currently has 400 employees, but we’re hiring like crazy and anticipate adding 200 people in 2022.
The U.S. government also is investing. During the last administration, they had a Quantum Initiative Act (QIA) where $1.2 billion was allocated for quantum funding. Other countries also are investing. China, for example, has spent at least $30 billion in quantum technology over the last few years.
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.
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
Quantinuum 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 Quantinuum 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.
Quantinuum Nexus
InQuanto v4.0 is fully integrated with Quantinuum Nexus 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` library, 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 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.”
Classical Code Interface
As demonstrated by our `inquanto-pyscf` extension, 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 blogpost 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
In July, we proudly introduced the Beta version of Quantinuum Nexus, our comprehensive quantum computing platform. Designed to provide an exceptional experience for managing, storing, and executing quantum workflows, Nexus offers unparalleled integration with Quantinuum’s software and hardware.
What’s New?
Before July, Nexus was primarily available to our internal researchers and software developers, who leveraged it to drive groundbreaking work leading to notable publications such as:
- Protecting expressive circuits with a quantum error detection code
- Volumetric Benchmarking of Error Mitigation with Qermit
- Platinum-based Catalysts for Oxygen Reduction Reaction simulated with a Quantum Computer
Following our initial announcement, we invited external users to experience Nexus for the first time.
We selected quantum computing researchers and developers from both industry and academia to help accelerate their work and advance scientific discovery. Participants included teams from diverse sectors such as automotive and energy technology, as well as research groups from universities and national laboratories worldwide. We also welcomed scientists and software developers from other quantum computing companies to explore areas ranging from physical system simulation to the foundations of quantum mechanics.
The feedback and results from our trial users have been exceptional. But don’t just take our word for it—read on to hear directly from some of them:
At Unitary Fund, we leveraged Nexus to study a foundational question about quantum mechanics. The quantum platform allowed us to scale experimental violations of Local Friendliness to a more significant regime than had been previously tested. Using Nexus, we encoded Extended Wigner’s Friend Scenarios (EWFS) into quantum circuits, running them on state-of-the-art simulators and quantum processors. Nexus enabled us to scale the complexity of these circuits efficiently, helping us validate LF violations at larger and larger scales. The platform's reliability and advanced capabilities were crucial to extending our results, from simulating smaller systems to experimentally demonstrating LF violations on quantum hardware. Nexus has empowered us to deepen our research and contribute to foundational quantum science.
Read the publication here: Towards violations of Local Friendliness with quantum computers.
At Phasecraft we are designing algorithms for near term quantum devices, identifying the most impactful experiments to run on the best available hardware. We recently implemented a series of circuits to simulate the time dynamics of a materials model with a novel layout, exploiting the all-to-all connectivity of the H series. Nexus integrated easily with our software stack, allowing us to easily deploy our circuits and collect data, with impressive results. We first tested that our in-house software could interface with Nexus smoothly using the syntax checker as well as the suite of functionality available through the Nexus API. We then tested our circuits on the H1 emulator, and it was straightforward to switch from the emulator to the hardware when we were ready. Overall, we found nexus a straightforward interface, especially when compared with alternative quantum hardware access models.
Quantum Software Lab, University of Edinburgh
In this project, we performed the largest verified measurement-based quantum computation to date, up to the size of 52 vertices, which was made possible by the Nexus system. The protocol requires complex operations intermingling classical and quantum information. In particular, Nexus allows us to demonstrate our protocol that requires complex decisions for every measurement shot on every node in the graph: circuit branching, mid-circuit measurement and reset, and incorporating fresh randomness. Such requirements are difficult to deliver on most quantum computer frameworks as they are far from conventional gate-based BQP computations; however, Nexus can!
Read the publication here: On-Chip Verified Quantum Computation with an Ion-Trap Quantum Processing Unit
Onward and Upward
We are thrilled to announce that after these successes, Nexus is coming out of beta access for full launch. We can’t wait to offer Nexus to our customers to enable ground-breaking scientific work, powered by Quantinuum.
Register your interest in gaining access to the best full-stack quantum computing platform, today!