Quantum simulation of chemistry and materials is predicted to be an important application for both near-term and fault-tolerant quantum devices. However, at present, developing and studying algorithms for these problems can be difficult due to the prohibitive amount of domain knowledge required in both the area of chemistry and quantum algorithms. To help bridge this gap and open the field to more researchers, we have developed the OpenFermion software package (www.openfermion.org). OpenFermion is an open-source software library written largely in Python under an Apache 2.0 license, aimed at enabling the simulation of fermionic and bosonic models and quantum chemistry problems on quantum hardware. Beginning with an interface to common electronic structure packages, it simplifies the translation between a molecular specification and a quantum circuit for solving or studying the electronic structure problem on a

Variational quantum eigensolver (VQE) is a promising algorithm for near-term quantum machines. It can be used to estimate the ground state energy of a molecule by performing separate measurements of O(N 4 ) terms. This quartic scaling appears to be a significant obstacle to practical applications. However, we note that it empirically reduces to O(N 3 ) when we partition the terms into linear-sized commuting families that can be measured simultaneously. We confirm these empirical observations by studying the MIN-COMMUTING-PARTITION problem at the level of the fermionic Hamiltonian and its encoding into qubits. Moreover, we provide a fast, precomputable procedure for creating linearly sized commuting partitions by solving a round-robin scheduling problem via flow networks. In addition, we demonstrate how to construct the quantum circuits necessary for simultaneous measurement, and we discuss the statistical implication of simultaneous measurement. Our results are experimentally validated by a ground state estimation of deuteron with low shot budget on a 20-qubit IBM machine.

Quantum computation is traditionally expressed in terms of quantum bits, or qubits. In this work, we instead consider three-level qutrits. Past work with qutrits has demonstrated only constant factor improvements, owing to the log 2 (3) binary-to-ternary compression factor. We present a novel technique using qutrits to achieve a logarithmic depth (runtime) decomposition of the Generalized Toffoli gate using no ancilla-a significant improvement over linear depth for the best qubit-only equivalent. Our circuit construction also features a 70x improvement in two-qudit gate count over the qubit-only equivalent decomposition. This results in circuit cost reductions for important algorithms like quantum neurons and Grover search. We develop an open-source circuit simulator for qutrits, along with realistic near-term noise models which account for the cost of operating qutrits. Simulation results for these noise models indicate over 90% mean reliability (fidelity) for our circuit construction, versus under 30% for the qubit-only baseline. These results suggest that qutrits offer a promising path towards scaling quantum computation. CCS CONCEPTS• Computer systems organization → Quantum computing. KEYWORDS quantum computing, quantum information, qutrits ACM Reference Format:

Recent developments in engineering and algorithms have made real-world applications in quantum computing possible in the near future. Existing quantum programming languages and compilers use a quantum assembly language composed of 1-and 2-qubit (quantum bit) gates. Quantum compiler frameworks translate this quantum assembly to electric signals (called control pulses) that implement the specified computation on specific physical devices. However, there is a mismatch between the operations defined by the 1-and 2-qubit logical ISA and their underlying physical implementation, so the current practice of directly translating logical instructions into control pulses results in inefficient, high-latency programs. To address this inefficiency, we propose a universal quantum compilation methodology that aggregates multiple logical operations into larger units that manipulate up to 10 qubits at a time. Our methodology then optimizes these aggregates by (1) finding commutative intermediate operations that result in more efficient schedules and (2) creating custom control pulses optimized for the aggregate (instead of individual 1-and 2-qubit operations). Compared to the standard gate-based compilation, the proposed approach realizes a deeper vertical integration of high-level quantum software and low-level, physical quantum hardware. We evaluate our approach on important near-term quantum applications on simulations of superconducting Permission to make digital

Quantum computing is on the cusp of reality with Noisy Intermediate-Scale Quantum (NISQ) machines currently under development and testing. Some of the most promising algorithms for these machines are variational algorithms that employ classical optimization coupled with quantum hardware to evaluate the quality of each candidate solution. Recent work used GRadient Descent Pulse Engineering (GRAPE) to translate quantum programs into highly optimized machine control pulses, resulting in a significant reduction in the execution time of programs. This is critical, as quantum machines can barely support the execution of short programs before failing.However, GRAPE suffers from high compilation latency, which is untenable in variational algorithms since compilation is interleaved with computation. We propose two strategies for partial compilation, exploiting the structure of variational circuits to pre-compile optimal pulses for specific blocks of gates. Our results indicate significant pulse speedups ranging from 1.5x-3x in typical benchmarks, with only a small fraction of the compilation latency of GRAPE. CCS CONCEPTS• Computer systems organization → Quantum computing. KEYWORDS quantum computing, optimal control, variational algorithms ACM Reference Format: