Related papers: Simulating Electron Transfer on Noisy Quantum Comp…
Owing to the computational complexity of electronic structure algorithms running on classical digital computers, the range of molecular systems amenable to simulation remains tightly circumscribed even after many decades of work. Quantum…
The ability to realize high-fidelity quantum communication is one of the many facets required to build generic quantum computing devices. In addition to quantum processing, sensing, and storage, transferring the resulting quantum states…
Noisy, intermediate-scale quantum computers come with intrinsic limitations in terms of the number of qubits (circuit "width") and decoherence time (circuit "depth") they can have. Here, for the first time, we demonstrate a recently…
Quantum computers have the potential to efficiently simulate large-scale quantum systems for which classical approaches are bound to fail. Even though several existing quantum devices now feature total qubit numbers of more than one…
We outline a proposal to test quantum mechanics in the high-complexity regime using noisy intermediate-scale quantum (NISQ) devices. The procedure involves simulating a non-Clifford random circuit, followed by its inverse, and then checking…
The simulation of charge transport in ultra-scaled electronic devices requires the knowledge of the atomic configuration and the associated potential. Such "atomistic" device simulation is most commonly handled using a tight-binding…
Perfect state transfer (PST) through a spin chain can be theoretically obtained via predesigned PST couplings. However, the corresponding experiment on IBM quantum computers demonstrates low transmission success probability (SP) due to…
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 computing not only holds the potential to solve long-standing problems in quantum physics, but also to offer speed-ups across a broad spectrum of other fields. However, due to the noise and the limited scale of current quantum…
An accurate description of electron transport at a molecular level requires a precise treatment of quantum effects. These effects play a crucial role in determining the electron transport properties of single molecules, such as…
Quantum computing allows for the manipulation of highly correlated states whose properties quickly go beyond the capacity of any classical method to calculate. Thus one natural problem which could lend itself to quantum advantage is the…
In this paper, we study the role of collective vibrational motion in the phenomenon of electronic energy transfer (EET) along a chain of coupled electronic dipoles with varying excitation frequencies. Previous experimental work on EET in…
Quantum simulation is a promising way toward practical quantum advantage, but noise in current quantum hardware poses a significant obstacle. We prove that not only the physical error but also the algorithmic error in a single Trotter step…
We propose the utilization of the IBM Quantum Experience quantum computing system to simulate different scenarios involving common hybrid quantum system components, the Nitrogen Vacancy Centre (NV centre) and the Flux Qubit. We perform a…
Approximation based on perturbation theory is the foundation for most of the quantitative predictions of quantum mechanics, whether in quantum many-body physics, chemistry, quantum field theory or other domains. Quantum computing provides…
The construction of quantum computer simulators requires advanced software which can capture the most significant characteristics of the quantum behavior and quantum states of qubits in such systems. Additionally, one needs to provide valid…
Understanding how quantum materials return to equilibrium after being driven into excited states is a fundamental problem in condensed matter physics. A prototypical material, 1T-TaS$_2$, exhibits complex electronic textures made up of…
Understanding the mechanisms of efficient and robust energy transfer in organic systems provides us with new insights for the optimal design of artificial systems. In this paper, we explore the dynamics of excitation energy transfer (EET)…
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…
The computational treatment of many-electron systems capable of exchanging {electrons and nuclei} with the environment represents one of the outermost frontiers in simulation methodology. The exchanging process occurs in a large variety of…