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Simulating response properties of molecules is crucial for interpreting experimental spectroscopies and accelerating materials design. However, it remains a long-standing computational challenge for electronic structure methods on classical…
Simulating open quantum systems on quantum computers presents a fundamental challenge: open quantum dynamics are intrinsically nonunitary, whereas quantum computers operate through unitary evolution. Conventional approaches overcome this…
Noisy Intermediate-Scale Quantum (NISQ) devices fail to produce outputs with sufficient fidelity for deep circuits with many gates today. Such devices suffer from read-out, multi-qubit gate and crosstalk noise combined with short…
Quantum computer emulators model the behavior and error rates of specific quantum processors. Without accurate noise models in these emulators, it is challenging for users to optimize and debug executable quantum programs prior to running…
Quantum algorithms for simulating large and complex molecular systems are still in their infancy, and surpassing state-of-the-art classical techniques remains an ever-receding goal post. A promising avenue of inquiry in the meanwhile is to…
Quantum search algorithm (also known as Grover's algorithm) lays the foundation for many other quantum algorithms. Although it is very simple, its implementation is limited on noisy intermediate-scale quantum (NISQ) processors. Grover's…
Noisy, intermediate-scale quantum (NISQ) computing devices have become an industrial reality in the last few years, and cloud-based interfaces to these devices are enabling exploration of near-term quantum computing on a range of problems.…
Universal quantum algorithms (UQA) implemented on fault-tolerant quantum computers are expected to achieve an exponential speedup over classical counterparts. However, the deep quantum circuits makes the UQA implausible in the current era.…
Quantum computers are expected to help us to achieve accurate simulation of the dynamics of many-body quantum systems. However, the limitations of current NISQ devices prevents us from realising this goal today. Recently an algorithm for…
Variational quantum eigensolver (VQE) is promising to show quantum advantage on near-term noisy-intermediate-scale quantum (NISQ) computers. One central problem of VQE is the effect of noise, especially the physical noise on realistic…
A universal fault-tolerant quantum computer holds the promise to speed up computational problems that are otherwise intractable on classical computers; however, for the next decade or so, our access is restricted to noisy intermediate-scale…
The inherent noise in current Noisy Intermediate-Scale Quantum (NISQ) devices presents a major obstacle to the accurate implementation of quantum algorithms such as the Variational Quantum Eigensolver (VQE) for quantum chemistry…
Quantum computers hold promise to enable efficient simulations of the properties of molecules and materials; however, at present they only permit ab initio calculations of a few atoms, due to a limited number of qubits. In order to harness…
Noisy, intermediate-scale quantum (NISQ) computing devices offer opportunities to test the principles of quantum computing but are prone to errors arising from various sources of noise. Fluctuations in the noise itself lead to unstable…
Higher-dimensional quantum systems (qudits) offer advantages in information encoding, error resilience, and compact gate implementations, and naturally arise in platforms such as superconducting and solid-state systems. However, realistic…
Ultrafast chemical reactions are difficult to simulate because they involve entangled, many-body wavefunctions whose computational complexity grows rapidly with molecular size. In photochemistry, the breakdown of the Born-Oppenheimer…
Quantum annealing (QA) is one of the efficient methods to calculate the ground-state energy of a problem Hamiltonian. In the absence of noise, QA can accurately estimate the ground-state energy if the adiabatic condition is satisfied.…
In these lecture notes, we present a pedagogical review of a number of related {\it numerically exact} approaches to quantum many-body problems. In particular, we focus on methods based on the exact diagonalization of the Hamiltonian matrix…
We present a novel method for simulating the noisy behaviour of quantum computers, which allows to efficiently incorporate environmental effects in the driven evolution implementing the gates acting on the qubits. We show how to modify the…
Quantum computing has the potential to outperform classical computers and is expected to play an active role in various fields. In quantum machine learning, a quantum computer has been found useful for enhanced feature representation and…