Classically simulating quantum systems is challenging, as even noiseless n-qubit quantum states scale as 2n. The complexity of noisy quantum systems is even greater, requiring 2n × 2n-dimensional density matrices. Various approximations reduce density matrix overhead, including quantum trajectory-based methods, which instead use an ensemble of m ≪ 2n noisy states. While this method is dramatically more efficient, current implementations use unoptimized sampling, redundant state preparation, and single-shot data collection. In this manuscript, we present the Pre-Trajectory Sampling technique, increasing the efficiency and utility of trajectory simulations by tailoring error types, batching sampling without redundant computation, and collecting error information. We demonstrate the effectiveness of our method with both a mature statevector simulation of a 35-qubit quantum error-correction code and a preliminary tensor network simulation of 85 qubits, yielding speedups of up to 106x and 16x, as well as generating massive datasets of one trillion and one million shots, respectively.

The numerical simulation of quantum circuits is an indispensable tool for development, verification, and validation of hybrid quantum-classical algorithms intended for near-term quantum co-processors. The emergence of exascale high-performance computing (HPC) platforms presents new opportunities for pushing the boundaries of quantum circuit simulation. We present a modernized version of the Tensor Network Quantum Virtual Machine (TNQVM) that serves as the quantum circuit simulation backend in the eXtreme-scale ACCelerator (XACC) framework. The new version is based on the scalable tensor network processing library ExaTN (Exascale Tensor Networks). It provides multiple configurable quantum circuit simulators that perform either an exact quantum circuit simulation via the full tensor network contraction or an approximate simulation via a suitably chosen tensor factorization scheme. Upon necessity, stochastic noise modeling from real quantum processors is incorporated into the simulations by modeling quantum channels with Kraus tensors. By combining the portable XACC quantum programming frontend and the scalable ExaTN numerical processing backend, we introduce an end-to-end virtual quantum development environment that can scale from laptops to future exascale platforms. We report initial benchmarks of our framework, which include a demonstration of the distributed execution, incorporation of quantum decoherence models, and simulation of the random quantum circuits used for the certification of quantum supremacy on Google’s Sycamore superconducting architecture.

Noisy gate-model quantum processing units (QPUs) are currently available from vendors over the cloud, and digital quantum programming approaches exist to run low-depth circuits on physical hardware. These digital representations are ultimately lowered to pulse-level instructions by vendor quantum control systems to affect unitary evolution representative of the submitted digital circuit. Vendors are beginning to open this pulse-level control system to the public via specified interfaces. Robust programming methodologies, software frameworks, and backend simulation technologies for this analog model of quantum computation will prove critical to advancing pulse-level control research and development. Prototypical use cases for this include error mitigation, optimal pulse control, and physics-inspired pulse construction. Here we present an extension to the XACC quantum-classical software framework that enables pulse-level programming for superconducting, gate-model quantum computers, and a novel, general, and extensible pulse-level simulation backend for XACC that scales on classical compute clusters via MPI. Our work enables custom backend Hamiltonian definitions and gate-level compilation to available pulses with a focus on performance and scalability. We end with a demonstration of this capability, and show how to use XACC for pertinent pulse-level programming tasks.

Python is a popular programming language known for its flexibility, usability, readability, and focus on developer productivity. The quantum software community has adopted Python on a number of large-scale efforts due to these characteristics, as well as the remote nature of near-term quantum processors. The use of Python has enabled quick prototyping for quantum code that directly benefits pertinent research and development efforts in quantum scientific computing. However, this rapid prototyping ability comes at the cost of future performant integration for tightly coupled CPU-QPU architectures with fast-feedback. Here, we present a language extension to Python that enables heterogeneous quantum-classical computing via a robust C++ infrastructure for quantum just-in-time (QJIT) compilation. Our work builds off the QCOR C++ language extension and compiler infrastructure to enable a single-source, quantum hardware-agnostic approach to quantum-classical computing that retains the performance required for tightly coupled CPU-QPU compute models. We detail this Python extension, its programming model and underlying software architecture, and provide a robust set of examples to demonstrate the utility of our approach.

We present qcor—a language extension to C++ and compiler implementation that enables heterogeneous quantum-classical programming, compilation, and execution in a single-source context. Our work provides a first-of-its-kind C++ compiler enabling high-level quantum kernel (function) expression in a quantum-language agnostic manner, as well as a hardware-agnostic, retargetable compiler workflow targeting a number of physical and virtual quantum computing backends. qcor leverages novel Clang plugin interfaces and builds upon the XACC system-level quantum programming framework to provide a state-of-the-art integration mechanism for quantum-classical compilation that leverages the best from the community at-large. qcor translates quantum kernels ultimately to the XACC intermediate representation, and provides user-extensible hooks for quantum compilation routines like circuit optimization, analysis, and placement. This work details the overall architecture and compiler workflow for qcor, and provides a number of illuminating programming examples demonstrating its utility for near-term variational tasks, quantum algorithm expression, and feed-forward error correction schemes.