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A large spectrum of problems in classical physics and engineering, such as turbulence, is governed by nonlinear differential equations, which typically require high-performance computing to be solved. Over the past decade, however, the…
The recent development of quantum computing, which uses entanglement, superposition, and other quantum fundamental concepts, can provide substantial processing advantages over traditional computing. These quantum features help solve many…
While significant progress has been made on the hardware side of quantum computing, support for high-level quantum programming abstractions remains underdeveloped compared to classical programming languages. In this article, we introduce…
Quantum processors promise a paradigm shift in high-performance computing which needs to be assessed by accurate benchmarking measures. In this work, we introduce a new benchmark for variational quantum algorithm (VQA), recently proposed as…
TenCirChem is an open-source Python library for simulating variational quantum algorithms for quantum computational chemistry. TenCirChem shows high performance on the simulation of unitary coupled-cluster circuits, using compact…
Quantum computing is a new model of computation, based on quantum physics. Quantum computers can be exponentially faster than conventional computers for problems such as factoring. Besides full-scale quantum computers, more restricted…
Solving partial differential equations for extremely large-scale systems within a feasible computation time serves in accelerating engineering developments. Quantum computing algorithms, particularly the Hamiltonian simulations, present a…
Quantum computing proposes a revolutionary paradigm that can radically transform numerous scientific and industrial application domains. To realize this promise, these new capabilities need software solutions that are able to effectively…
Quantum Computing (QC) offers the potential to enhance traditional High-Performance Computing (HPC) workloads by leveraging the unique properties of quantum computers, leading to the emergence of a new paradigm: HPC-QC. While this…
Quantum computations operate in the quantum world. For their results to be useful in any way, there is an intrinsic necessity of cooperation and communication controlled by the classical world. As a consequence, full formal descriptions of…
We demonstrate the feasibility of quantum computing for large-scale, realistic chemical systems through the development of a new interface using a quantum circuit simulator and CP2K, a highly efficient first-principles calculation software.…
We present an object-oriented open-source framework for solving the dynamics of open quantum systems written in Python. Arbitrary Hamiltonians, including time-dependent systems, may be built up from operators and states defined by a quantum…
Applications such as simulating complicated quantum systems or solving large-scale linear algebra problems are very challenging for classical computers due to the extremely high computational cost. Quantum computers promise a solution,…
Using quantum devices supported by classical computational resources is a promising approach to quantum-enabled computation. One example of such a hybrid quantum-classical approach is the variational quantum eigensolver (VQE) built to…
The quantum approximate optimisation algorithm was proposed as a heuristic method for solving combinatorial optimisation problems on near-term quantum computers and may be among the first algorithms to perform useful computations in the…
An effective, accessible abstraction hierarchy has made using and programming computers possible for people across all disciplines. Establishing such a hierarchy for quantum programming is an outstanding challenge, especially due to a…
PennyLane is a Python 3 software framework for differentiable programming of quantum computers. The library provides a unified architecture for near-term quantum computing devices, supporting both qubit and continuous-variable paradigms.…
Our computers today, from sophisticated servers to small smartphones, operate based on the same computing model, which requires running a sequence of discrete instructions, specified as an algorithm. This sequential computing paradigm has…
Most continuous mathematical formulations arising in science and engineering can only be solved numerically and therefore approximately. We shall always assume that we're dealing with a numerical approximation to the solution. There are two…
Quantum chemistry is among the most promising applications of quantum computing, offering the potential to solve complex electronic structure problems more efficiently than classical approaches. A critical component of any quantum algorithm…