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ADAPT-VQE is a robust algorithm for hybrid quantum-classical simulations of quantum chemical systems on near-term quantum computers. While its iterative process systematically reaches the ground state energy, ADAPT-VQE is sensitive to local…
Quantum computing is a promising technology because of the ability of quantum computers to process vector spaces with dimensions that increase exponentially with the simulated system size. Extracting the solution, however, is challenging as…
Variational quantum algorithms are of special importance in the research on quantum computing applications because of their applicability to current Noisy Intermediate-Scale Quantum (NISQ) devices. The main building blocks of these…
Harnessing the full power of nascent quantum processors requires the efficient management of a limited number of quantum bits with finite lifetime. Hybrid algorithms leveraging classical resources have demonstrated promising initial results…
We introduce a general framework called neural network (NN) encoded variational quantum algorithms (VQAs), or NN-VQA for short, to address the challenges of implementing VQAs on noisy intermediate-scale quantum (NISQ) computers.…
The recent developments of quantum computing present potential novel pathways for quantum chemistry, as the increased computational power of quantum computers could be harnessed to naturally encode and solve electronic structure problems.…
Quantum chemical calculations (QCC) are computational techniques to analyze the characteristics of molecules. The variational quantum eigensolver (VQE) designed for noisy intermediate-scale quantum (NISQ) computers can be used to calculate…
Quantum devices in the Noisy Intermediate-Scale Quantum (NISQ) era are limited by high error rates and short decoherence times. Typically, compiler optimisations have provided solutions at the gate level. Alternatively, we exploit the…
The Variational Quantum Eigensolver (VQE) is one the most perspective algorithms for simulation of quantum many body physics that have recently attached a lot of attention and believed would be practical for implementation on the near term…
Quantum algorithms are prominent in the pursuit of achieving quantum advantage in various computational tasks. However, addressing challenges, such as limited qubit coherence and high error rate in near-term devices, requires extensive…
Recent advances in quantum computing and their increased availability has led to a growing interest in possible applications. Among those is the solution of partial differential equations (PDEs) for, e.g., material or flow simulation.…
Variational Quantum Algorithms (VQAs) are a leading approach for near-term quantum computing but face major optimization challenges from noise, barren plateaus, and complex energy landscapes. We benchmarked more than fifty metaheuristic…
Quantum computing is among the most promising emerging techniques to solve problems that are computationally intractable on classical hardware. A large body of existing works focus on using variational quantum algorithms on the gate level…
Variational Quantum Algorithms (VQA) are promising to demonstrate quantum advantages on near-term devices. Designing ansatz, a variational circuit with parameterized gates, is of paramount importance for VQA as it lays the foundation for…
Variational Quantum Algorithms are among the most promising systems to implement quantum computing under the Noisy-Intermediate Scale Quantum (NISQ) technology. In variational quantum algorithm, wavefunction represented by a parametrized…
We present a novel method for improving the quantum simulation of the ground state energy of molecules. We perform a pre-processing step classically, which reduces the dimensionality of the problem by generating a custom mapping which…
Finding the ground state energy and wavefunction of a quantum many-body system is a key problem in quantum physics and chemistry. We study this problem for the long-range XY model by using the variational quantum eigensolver (VQE)…
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…
Variational Quantum Eigensolvers (VQEs) are a leading class of noisy intermediate-scale quantum (NISQ) algorithms, whose performance is highly sensitive to parameter initialization. Although recent machine learning-based initialization…
Solving for molecular excited states remains one of the key challenges of modern quantum chemistry. Traditional methods are constrained by existing computational capabilities, limiting the complexity of the molecules that can be studied or…