Related papers: Q# and NWChem: Tools for Scalable Quantum Chemistr…
Progress towards quantum utility in chemistry requires not only algorithmic advances, but also the identification of chemically meaningful problems whose electronic structure fundamentally challenges classical methods. Here, we introduce a…
Over the last decade, Quantum Computing hardware has rapidly developed and become a very intriguing, promising, and active research field among scientists worldwide. To achieve the desired quantum functionalities, quantum algorithms require…
Variational quantum eigensolvers (VQEs) are among the most promising quantum algorithms for solving electronic structure problems in quantum chemistry, particularly during the Noisy Intermediate-Scale Quantum (NISQ) era. In this study, we…
Quantum computing brings a promise of new approaches into computational quantum chemistry. While universal, fault-tolerant quantum computers are still not available, we want to utilize today's noisy quantum processors. One of their flagship…
In recent years, Quantum Computing (QC) has progressed to the point where small working prototypes are available for use. Termed Noisy Intermediate-Scale Quantum (NISQ) computers, these prototypes are too small for large benchmarks or even…
As quantum computers become available to the general public, the need has arisen to train a cohort of quantum programmers, many of whom have been developing classical computer programs for most of their careers. While currently available…
Quantum computing offers the promise of revolutionizing quantum chemistry by enabling the solution of chemical problems for substantially less computational cost. While most demonstrations of quantum computation to date have focused on…
The rapid development of quantum computing (QC) in the NISQ era urgently demands a low-level benchmark suite and insightful evaluation metrics for characterizing the properties of prototype NISQ devices, the efficiency of QC programming…
The Variational Quantum Eigensolver (VQE) is a promising quantum algorithm for applications in chemistry within the Noisy Intermediate-Scale Quantum (NISQ) era. The ability for a quantum computer to simulate electronic structures with high…
Quantum chemistry provides key applications for near-term quantum computing, but these are greatly complicated by the presence of noise. In this work we present an efficient ansatz for the computation of two-electron atoms and molecules…
In this work we introduce an open source suite of quantum application-oriented performance benchmarks that is designed to measure the effectiveness of quantum computing hardware at executing quantum applications. These benchmarks probe a…
Quantum machine learning algorithms are expected to play a pivotal role in quantum chemistry simulations in the immediate future. One such key application is the training of a quantum neural network to learn the potential energy surface and…
We present a computational platform for modeling chemical reactions in complex molecular environments, focused on ligand-protein binding in drug discovery. The platform implements our new quantum-in-quantum-in-classical (QM/QM/MM)…
Manipulating quantum computing hardware in the presence of imperfect devices and control systems is a central challenge in realizing useful quantum computers. Susceptibility to noise limits the performance and capabilities of noisy…
Quantum processors are now able to run quantum circuits that are infeasible to simulate classically, creating a need for benchmarks that assess a quantum processor's rate of errors when running these circuits. Here, we introduce a general…
We present ScaffCC, a scalable compilation and analysis framework based on LLVM, which can be used for compiling quantum computing applications at the logical level. Drawing upon mature compiler technologies, we discuss similarities and…
Significant challenges remain with the development of macroscopic quantum computing, hardware problems of noise, decoherence, and scaling, software problems of error correction, and, most important, algorithm construction. Finding truly…
Due to the limited availability of quantum computing power in the near future, cryptographic security techniques must be developed for secure remote use of current and future quantum computing hardware. Prominent among these is Universal…
Utilizing quantum computer to investigate quantum chemistry is an important research field nowadays. In addition to the ground-state problems that have been widely studied, the determination of excited-states plays a crucial role in the…
Quantum simulation algorithms often require numerous ancilla qubits and deep circuits, prohibitive for near-term hardware. We introduce a framework for simulating quantum channels using ensembles of low-depth circuits in place of many-qubit…