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Variational Quantum Computing (VQC) faces fundamental scalability barriers, primarily due to barren plateaus and sensitivity to quantum noise. To address these challenges, we introduce TensorHyper-VQC, a novel tensor-train (TT)-guided…
Understanding strongly correlated systems is essential for advancing quantum chemistry and materials science, yet conventional methods like Density Functional Theory (DFT) often fail to capture their complex electronic behavior. To address…
Quantum machine learning for classical data is currently perceived to have a scalability problem due to (i) a bottleneck at the point of loading data into quantum states, (ii) the lack of clarity around good optimization strategies, and…
A programmable quantum device that has a large number of qubits without fault-tolerance has emerged recently. Variational Quantum Eigensolver (VQE) is one of the most promising ways to utilize the computational power of such devices to…
The variational quantum eigensolver (VQE) is a hybrid quantum-classical variational algorithm that produces an upper-bound estimate of the ground-state energy of a Hamiltonian. As quantum computers become more powerful and go beyond the…
Variational quantum algorithms provide a direct, physics-based approach to protein structure prediction, but their accuracy is limited by the coarse resolution of the energy landscapes generated on current noisy devices. We propose a hybrid…
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…
Quantum variational optimization has been posed as an alternative to solve optimization problems faster and at a larger scale than what classical methods allow. In this paper we study systematically the role of entanglement, the structure…
Variational quantum algorithms (VQAs) have established themselves as a central computational paradigm in the Noisy Intermediate-Scale Quantum (NISQ) era. By coupling parameterized quantum circuits (PQCs) with classical optimization, they…
Variational Quantum Eigensolver (VQE) faces significant challenges due to hardware noise and the presence of barren plateaus and local traps in the optimization landscape. To mitigate the detrimental effects of these issues, we introduce a…
Traditional end-to-end deep learning models often enhance feature representation and overall performance by increasing the depth and complexity of the network during training. However, this approach inevitably introduces issues of parameter…
Quantum systems have historically been formidable to simulate using classical computational methods, particularly as the system size grows. In recent years, advancements in quantum computing technology have offered new opportunities for…
The Variational Quantum Eigensolver (VQE) is a promising tool for simulating ground states of quantum many-body systems on noisy quantum computers. Its effectiveness relies heavily on the ansatz, which must be both hardware-efficient for…
Barren plateaus (BP), characterized by exponentially vanishing gradients that hinder the training of variational quantum circuits (VQC), present a pervasive and critical challenge in applying variational quantum algorithms to real-world…
Variational quantum circuits are increasingly studied as continuous-function approximators, but quantum regression remains difficult to train when global losses, finite-shot stochasticity, and circuit-depth growth combine to produce weak or…
Materials simulations involving strongly correlated electrons pose fundamental challenges to state-of-the-art electronic structure methods but are hypothesized to be the ideal use case for quantum computing. To date, no quantum computer has…
Accurate determination of ground-state energies for molecules remains a challenge in quantum chemistry and a cornerstone for progress in fields such as drug discovery and materials design. The Variational Quantum Eigensolver (VQE)…
Quantum computers are expected to be highly beneficial for chemistry simulations, promising significant improvements in accuracy and speed. The most prominent algorithm for chemistry simulations on NISQ devices is the Variational Quantum…
We propose a cost-efficient measurement scheme of the variational quantum eigensolver (VQE) for atomistic simulations of electronic structures based on a tight-binding (TB) theory. Leveraging the lattice geometry of a material domain, the…
Over the last decade, researchers have been working to improve a crucial aspect of quantum computing to predict Hamiltonian energy of solids. Quantum algorithms such as Variational Quantum Eigensolver (VQE) and Variational Quantum Deflation…