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Practical quantum computing holds clear promise in addressing problems not generally tractable with classical simulation techniques, and some key physically interesting applications are those of real-time dynamics in strongly coupled…
Understanding and prediction of the chemical reactions are fundamental demanding in the study of many complex chemical systems. Reactive molecular dynamics (MD) simulation has been widely used for this purpose as it can offer atomic details…
Understanding the emergence of objectivity from the quantum realm has been a long standing issue strongly related to the quantum to classical crossover. Quantum Darwinism provides an answer, interpreting objectivity as consensus between…
Today's Noisy Intermediate-Scale Quantum (NISQ) computers have scientific value, but quantum machines with broad practical value must be protected against noise using quantum error correction and fault-tolerant protocols. Recent studies of…
The rapid development of noisy intermediate-scale quantum (NISQ) devices has raised the question of whether or not these devices will find commercial use. Unfortunately, a major shortcoming of many proposed NISQ-amenable algorithms, such as…
Mitigating and reducing noise influence is crucial for obtaining precise experimental results from noisy intermediate-scale quantum (NISQ) devices. In this work, an adaptive Hamiltonian learning (AHL) model for data analysis and quantum…
We have demonstrated a prototypical hybrid classical and quantum computational workflow for the quantification of protein-ligand interactions. The workflow combines the Density Matrix Embedding Theory (DMET) embedding procedure with the…
Simulating open quantum systems, which interact with external environments, presents significant challenges on noisy intermediate-scale quantum (NISQ) devices due to limited qubit resources and noise. In this paper, we propose an efficient…
Quantum computers hold great promise for accelerating computationally challenging algorithms on noisy intermediate-scale quantum (NISQ) devices in the upcoming years. Much attention of the current research is directed to algorithmic…
Classical simulations of noisy quantum circuits are instrumental to our understanding of the behavior of real-world quantum systems and the identification of regimes where one expects quantum advantage. In this work, we present a highly…
Many-body quantum systems are notoriously hard to study theoretically due to the exponential growth of their Hilbert space. It is also challenging to probe the quantum correlations in many-body states in experiments due to their sensitivity…
Quantum computing enables parallelism through superposition and entanglement and offers advantages over classical computing architectures. However, due to the limitations of current quantum hardware in the noisy intermediate-scale quantum…
We introduce a protocol for the fast simulation of $n$-dimensional quantum systems on $n$-qubit quantum computers with tunable couplings. A mapping is given between the control parameters of the quantum computer and the matrix elements of…
Hybrid quantum-classical algorithms are among the most promising systems to implement quantum computing under the Noisy-Intermediate Scale Quantum (NISQ) technology. In this paper, at first, we investigate a quantum dynamics algorithm for…
We present a hardware-efficient optimization scheme for quantum chemistry calculations, utilizing the Sampled Quantum Diagonalization (SQD) method. Our algorithm, optimized SQD (SQDOpt), combines the classical Davidson method technique with…
Digital quantum computing paradigm offers highly-desirable features such as universality, scalability, and quantum error correction. However, physical resource requirements to implement useful error-corrected quantum algorithms are…
The quantum circuit mapping approach is an indispensable part of the software stack for the noisy intermediatescale quantum (NISQ) device. It has a significant impact on the reliability of computational tasks on NISQ devices. To improve the…
Quantum algorithms for simulating quantum systems provide a clear and provable advantage over classical algorithms in fault-tolerant settings. There is also interest in quantum algorithms and their implementation in Noisy Intermediate Scale…
We explore how the fundamental problems in quantum molecular dynamics can be modelled using classical simulators (emulators) of quantum computers and the actual quantum hardware available to us today. The list of problems we tackle includes…
Quantum network research at both the software stack and hardware implementation level has become an exciting area of quantum information science. Although demonstrations of small-scale quantum networks have emerged in the past decade,…