No Arabic abstract
Quantum computers can in principle simulate quantum physics exponentially faster than their classical counterparts, but some technical hurdles remain. Here we consider methods to make proposed chemical simulation algorithms computationally fast on fault-tolerant quantum computers in the circuit model. Fault tolerance constrains the choice of available gates, so that arbitrary gates required for a simulation algorithm must be constructed from sequences of fundamental operations. We examine techniques for constructing arbitrary gates which perform substantially faster than circuits based on the conventional Solovay-Kitaev algorithm [C.M. Dawson and M.A. Nielsen, emph{Quantum Inf. Comput.}, textbf{6}:81, 2006]. For a given approximation error $epsilon$, arbitrary single-qubit gates can be produced fault-tolerantly and using a limited set of gates in time which is $O(log epsilon)$ or $O(log log epsilon)$; with sufficient parallel preparation of ancillas, constant average depth is possible using a method we call programmable ancilla rotations. Moreover, we construct and analyze efficient implementations of first- and second-quantized simulation algorithms using the fault-tolerant arbitrary gates and other techniques, such as implementing various subroutines in constant time. A specific example we analyze is the ground-state energy calculation for Lithium hydride.
We explain how to combine holonomic quantum computation (HQC) with fault tolerant quantum error correction. This establishes the scalability of HQC, putting it on equal footing with other models of computation, while retaining the inherent robustness the method derives from its geometric nature.
Simulating chemical systems on quantum computers has been limited to a few electrons in a minimal basis. We demonstrate experimentally that the virtual quantum subspace expansion [Phys. Rev. X 10, 011004 (2020)] can achieve full basis accuracy for hydrogen and lithium dimers, comparable to simulations requiring twenty or more qubits. We developed an approach to minimize the impact of experimental noise on the stability of the generalized eigenvalue problem, a crucial component of the quantum algorithm. In addition, we were able to obtain an accurate potential energy curve for the nitrogen dimer in a quantum simulation on a classical computer.
Designing encoding and decoding circuits to reliably send messages over many uses of a noisy channel is a central problem in communication theory. When studying the optimal transmission rates achievable with asymptotically vanishing error it is usually assumed that these circuits can be implemented using noise-free gates. While this assumption is satisfied for classical machines in many scenarios, it is not expected to be satisfied in the near term future for quantum machines where decoherence leads to faults in the quantum gates. As a result, fundamental questions regarding the practical relevance of quantum channel coding remain open. By combining techniques from fault-tolerant quantum computation with techniques from quantum communication, we initiate the study of these questions. We introduce fault-tolera
Fault-tolerant quantum computation promises to solve outstanding problems in quantum chemistry within the next decade. Realizing this promise requires scalable tools that allow users to translate descriptions of electronic structure problems to optimized quantum gate sequences executed on physical hardware, without requiring specialized quantum computing knowledge. To this end, we present a quantum chemistry library, under the open-source MIT license, that implements and enables straightforward use of state-of-art quantum simulation algorithms. The library is implemented in Q#, a language designed to express quantum algorithms at scale, and interfaces with NWChem, a leading electronic structure package. We define a standardized schema for this interface, Broombridge, that describes second-quantized Hamiltonians, along with metadata required for effective quantum simulation, such as trial wavefunction ansatzes. This schema is generated for arbitrary molecules by NWChem, conveniently accessible, for instance, through Docker containers and a recently developed web interface EMSL Arrows. We illustrate use of the library with various examples, including ground- and excited-state calculations for LiH, H$_{10}$, and C$_{20}$ with an active-space simplification, and automatically obtain resource estimates for classically intractable examples.
Certain physical systems that one might consider for fault-tolerant quantum computing where qubits do not readily interact, for instance photons, are better suited for measurement-based quantum-computational protocols. Here we propose a measurement-based model for universal quantum computation that simulates the braiding and fusion of Majorana modes. To derive our model we develop a general framework that maps any scheme of fault-tolerant quantum computation with stabilizer codes into the measurement-based picture. As such, our framework gives an explicit way of producing fault-tolerant models of universal quantum computation with linear optics using protocols developed using the stabilizer formalism. Given the remarkable fault-tolerant properties that Majorana modes promise, the main example we present offers a robust and resource efficient proposal for photonic quantum computation.