Related papers: Molecular Ground State Simulation by Subspace Rest…
Variational quantum algorithms are emerging as promising candidates for near-term practical applications of quantum information processors, in the field of quantum chemistry. We implement the variational quantum eigensolver algorithm to…
Quantum simulation of molecular electronic structure is one of the most promising applications of quantum computing. However, achieving chemically accurate predictions for strongly correlated systems requires quantum phase estimation (QPE)…
Quantum state tomography (QST) remains the prevailing method for benchmarking and verifying quantum devices; however, its application to large quantum systems is rendered impractical due to the exponential growth in both the required number…
Grover's algorithm is a cornerstone of quantum search algorithm, offering quadratic speedup for unstructured problems. However, limited qubit counts and noise in today's noisy intermediate-scale quantum (NISQ) devices hinder large-scale…
Quantum algorithms for probing ground-state properties of quantum systems require good initial states. Projection-based methods such as eigenvalue filtering rely on inputs that have a significant overlap with the low-energy subspace, which…
Quantum state reconstruction using Neural Quantum States has been proposed as a viable tool to reduce quantum shot complexity in practical applications, and its advantage over competing techniques has been shown in numerical experiments…
Molecular dynamics (MD) simulation with modified Brenner's reactive empirical bond order (REBO) potential is a powerful tool to investigate plasma wall interaction on divertor plates in a nuclear fusion device. However, MD simulation box's…
Wideband and low-latency requirements in sixth-generation (6G) networks demand detectors that approach maximum-likelihood (ML) performance without incurring exponential complexity. This work develops a hybrid quantum-classical detection…
Simulations of nuclear magnetic resonance (NMR) experiments can be an important tool for extracting information about molecular structure and optimizing experimental protocols but are often intractable on classical computers for large…
We report the implementation of a multi-CPU and multi-GPU massively parallel platform dedicated to the explicit inclusion of nuclear quantum effects (NQEs) in the Tinker-HP molecular dynamics (MD) package. The platform, denoted Quantum-HP,…
Classical simulation of molecular systems is limited by exponential scaling, a hurdle quantum algorithms like Variational Quantum Eigensolvers (VQEs) aim to overcome. Although ADAPT-VQE enhances VQEs by dynamically building ans\"atze, it…
The opportunities afforded by near-term quantum computers to calculate the ground-state properties of small molecules depend on the structure of the computational ansatz as well as the errors induced by device noise. Here we investigate the…
We propose a new approach to improve the accuracy of ground state estimates in Variational Quantum Eigensolver (VQE) algorithms by employing subspace representations with soft-coded orthogonality constraints. As in other subspace-based VQE…
We introduce an efficient algorithm for the systematic design of shallow-depth quantum circuits capable of preparing many-body quantum states represented as Matrix Product States (MPS). The proposed method leverages Schmidt spectrum…
We compare the results of ground state and spectroscopic measurements carried out on superconducting flux qubits which are effective two-level quantum systems. For a single qubit and for two coupled qubits we show excellent agreement…
Tensor network states are an indispensable tool for the simulation of strongly correlated quantum many-body systems. In recent years, tree tensor network states (TTNS) have been successfully used for two-dimensional systems and to benchmark…
Recent advances in both theoretical and computational methods have enabled large-scale, precision calculations of the properties of atomic nuclei. With the growing complexity of modern nuclear theory, however, also comes the need for novel…
HHL algorithm \cite{harrow} to solve linear system is a powerful and efficient quantum technique to deal with many matrix operations (such as matrix multiplication, powers and inversion). It inspires many applications in quantum machine…
Particle-Mesh (PM) codes are still very useful tools for testing predictions of cosmological models in cases when extra high resolution is not very important. We release for public use a cosmological PM N-body code. We provide a complete…
The quantum simulation of real molecules and materials is one of the most highly anticipated applications of quantum computing. Algorithms for simulating electronic structure using a first-quantized plane wave representation are especially…