There is, I think, something ethereal about i —the square root of minus one. I remember first hearing about it at school. It seemed an odd beast at that time—an intruder hovering on the edge of reality.

Usually familiarity dulls this sense of the bizarre, but in the case of i it was the reverse: over the years the sense of its surreal nature intensified. It seemed that it was impossible to write mathematics that described the real world in …

I and i

Noisy Intermediate-Scale Quantum (NISQ) technology will be available in the near future. Quantum computers with 50-100 qubits may be able to perform tasks which surpass the capabilities of today's classical digital computers, but noise in quantum gates will limit the size of quantum circuits that can be executed reliably. NISQ devices will be useful tools for exploring many-body quantum physics, and may have other useful applications, but the 100-qubit quantum computer will not change the world right away --- we should regard it as a significant step toward the more powerful quantum technologies of the future. Quantum technologists should continue to strive for more accurate quantum gates and, eventually, fully fault-tolerant quantum computing.

/pdf/quantum-computing-in-the-nisq-era-and-beyond-4jnwt61yqa.pdf

Quantum Computing in the NISQ era and beyond

Noisy Intermediate-Scale Quantum (NISQ) technology will be available in the
near future. Quantum computers with 50-100 qubits may be able to perform tasks
which surpass the capabilities of today's classical digital computers, but
noise in quantum gates will limit the size of quantum circuits that can be
executed reliably. NISQ devices will be useful tools for exploring many-body
quantum physics, and may have other useful applications, but the 100-qubit
quantum computer will not change the world right away --- we should regard it
as a significant step toward the more powerful quantum technologies of the
future. Quantum technologists should continue to strive for more accurate
quantum gates and, eventually, fully fault-tolerant quantum computing.

/pdf/quantum-computing-in-the-nisq-era-and-beyond-3utyn832f7.pdf

The ground-state energy of small molecules is determined efficiently using six qubits of a superconducting quantum processor. Quantum simulation is currently the most promising application of quantum computers. However, only a few quantum simulations of very small systems have been performed experimentally. Here, researchers from IBM present quantum simulations of larger systems using a variational quantum eigenvalue solver (or eigensolver), a previously suggested method for quantum optimization. They perform quantum chemical calculations of LiH and BeH2 and an energy minimization procedure on a four-qubit Heisenberg model. Their application of the variational quantum eigensolver is hardware-efficient, which means that it is optimized on the given architecture. Noise is a big problem in this implementation, but quantum error correction could eventually help this experimental set-up to yield a quantum simulation of chemically interesting systems on a quantum computer. Quantum computers can be used to address electronic-structure problems and problems in materials science and condensed matter physics that can be formulated as interacting fermionic problems, problems which stretch the limits of existing high-performance computers1. Finding exact solutions to such problems numerically has a computational cost that scales exponentially with the size of the system, and Monte Carlo methods are unsuitable owing to the fermionic sign problem. These limitations of classical computational methods have made solving even few-atom electronic-structure problems interesting for implementation using medium-sized quantum computers. Yet experimental implementations have so far been restricted to molecules involving only hydrogen and helium2,3,4,5,6,7,8. Here we demonstrate the experimental optimization of Hamiltonian problems with up to six qubits and more than one hundred Pauli terms, determining the ground-state energy for molecules of increasing size, up to BeH2. We achieve this result by using a variational quantum eigenvalue solver (eigensolver) with efficiently prepared trial states that are tailored specifically to the interactions that are available in our quantum processor, combined with a compact encoding of fermionic Hamiltonians9 and a robust stochastic optimization routine10. We demonstrate the flexibility of our approach by applying it to a problem of quantum magnetism, an antiferromagnetic Heisenberg model in an external magnetic field. In all cases, we find agreement between our experiments and numerical simulations using a model of the device with noise. Our results help to elucidate the requirements for scaling the method to larger systems and for bridging the gap between key problems in high-performance computing and their implementation on quantum hardware.

Hardware-efficient variational quantum eigensolver for small molecules and quantum magnets

Here we summarize recent progress in machine learning for the chemical sciences. We outline machine-learning techniques that are suitable for addressing research questions in this domain, as well as future directions for the field. We envisage a future in which the design, synthesis, characterization and application of molecules and materials is accelerated by artificial intelligence.

/pdf/machine-learning-for-molecular-and-materials-science-2c34wzvcqw.pdf

Machine learning for molecular and materials science.

The preparation of quantum states using short quantum circuits is one of the most promising near-term applications of small quantum computers, especially if the circuit is short enough and the fidelity of gates high enough that it can be executed without quantum error correction. Such quantum state preparation can be used in variational approaches, optimizing parameters in the circuit to minimize the energy of the constructed quantum state for a given problem Hamiltonian. For this purpose we propose a simple-to-implement class of quantum states motivated by adiabatic state preparation. We test its accuracy and determine the required circuit depth for a Hubbard model on ladders with up to 12 sites (24 spin orbitals), and for small molecules. We find that this ansatz converges faster than previously proposed schemes based on unitary coupled clusters. While the required number of measurements is astronomically large for quantum chemistry applications to molecules, applying the variational approach to the Hubbard model (and related models) is found to be far less demanding and potentially practical on small quantum computers. We also discuss another application of quantum state preparation using short quantum circuits, to prepare trial ground states of models faster than using adiabatic state preparation.

/pdf/progress-towards-practical-quantum-variational-algorithms-1wpa8mevpi.pdf

Progress towards practical quantum variational algorithms

With rapid recent advances in quantum technology, we are close to the threshold of quantum devices whose computational powers can exceed those of classical supercomputers. Here, we show that a quantum computer can be used to elucidate reaction mechanisms in complex chemical systems, using the open problem of biological nitrogen fixation in nitrogenase as an example. We discuss how quantum computers can augment classical computer simulations used to probe these reaction mechanisms, to significantly increase their accuracy and enable hitherto intractable simulations. Our resource estimates show that, even when taking into account the substantial overhead of quantum error correction, and the need to compile into discrete gate sets, the necessary computations can be performed in reasonable time on small quantum computers. Our results demonstrate that quantum computers will be able to tackle important problems in chemistry without requiring exorbitant resources.

/pdf/elucidating-reaction-mechanisms-on-quantum-computers-3j2wuuifgh.pdf

Elucidating reaction mechanisms on quantum computers

Drastic improvements to quantum algorithms for chemistry are required to circumvent the obstacle that the number of coherently executable gates is many orders of magnitude higher than feasible today.

/pdf/gate-count-estimates-for-performing-quantum-chemistry-on-bn1skclo07.pdf

Gate count estimates for performing quantum chemistry on small quantum computers

Researchers propose a step-by-step quantum recipe to find the ground state of models of strongly interacting electrons.

/pdf/solving-strongly-correlated-electron-models-on-a-quantum-1bc883o13g.pdf

Solving strongly correlated electron models on a quantum computer

Languages, compilers, and computer-aided design tools will be essential for scalable quantum computing, which promises an exponential leap in our ability to execute complex tasks. LIQUi|> is a modular software architecture designed to control quantum hardware. It enables easy programming, compilation, and simulation of quantum algorithms and circuits, and is independent of a specific quantum architecture. LIQUi|> contains an embedded, domain-specific language designed for programming quantum algorithms, with F# as the host language. It also allows the extraction of a circuit data structure that can be used for optimization, rendering, or translation. The circuit can also be exported to external hardware and software environments. Two different simulation environments are available to the user which allow a trade-off between number of qubits and class of operations. LIQUi|> has been implemented on a wide range of runtimes as back-ends with a single user front-end. We describe the significant components of the design architecture and how to express any given quantum algorithm.

/pdf/liqui-a-software-design-architecture-and-domain-specific-4iiomfb7mb.pdf

Dave Wecker

Papers

Progress towards practical quantum variational algorithms

Elucidating reaction mechanisms on quantum computers

Gate count estimates for performing quantum chemistry on small quantum computers

Solving strongly correlated electron models on a quantum computer

LIQUi|>: A Software Design Architecture and Domain-Specific Language for Quantum Computing.