Related papers: Simulating Electron Transfer in a Molecular Triad …
Hybrid quantum-classical (HQC) algorithms make it possible to use near-term quantum devices supported by classical computational resources by useful control schemes. In this paper, we develop an HQC algorithm using an efficient variational…
Simulating large electronic networks with vibrational environments remains a fundamental challenge due to the long lifetimes of electronic-vibrational (vibronic) excitations on the picosecond scale. Quantum computers are a promising…
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…
Quantum systems are inherently open and susceptible to environmental noise, which can have both detrimental and beneficial effects on their dynamics. This phenomenon has been observed in bio-molecular systems, where noise enables novel…
We propose to use ultracold fermionic atoms in one-dimensional optical lattices to quantum simulate the electronic transport in quantum cascade laser (QCL) structures. The competition between the coherent tunneling among (and within) the…
In a recent milestone experiment, Google's processor Sycamore heralded the era of "quantum supremacy" by sampling from the output of (pseudo-)random circuits. We show that such random circuits provide tailor-made building blocks for…
We study the dynamics of quantum excitations inside macromolecules which can undergo conformational transitions. In the first part of the paper, we use the path integral formalism to rigorously derive a set of coupled equations of motion…
Quantum computational fluid dynamics (QCFD) offers a promising alternative to classical computational fluid dynamics (CFD) by leveraging quantum algorithms for higher efficiency. This paper introduces a comprehensive QCFD method, including…
World-wide efforts aim at the realization of advanced quantum simulators and processors. However, despite the development of intricate hardware and pulse control systems, it may still not be generally known which effective quantum dynamics,…
A mixed quantum-classical approach to simulate the coupled dynamics of electrons and nuclei in nanoscale molecular systems is presented. The method relies on a second order expansion of the Lagrangian in time-dependent density functional…
Simulation and programming of current quantum computers as Noisy Intermediate-Scale Quantum (NISQ) devices represent a hot topic at the border of current physical and information sciences. The quantum walk process represents a basic…
Quantum nuclear dynamics with wavepacket time-evolution is classically intractable and viewed as a promising avenue for quantum information processing. Here, we use an IonQ 11-qubit trapped-ion quantum computer, Harmony, to study the…
Polymers exhibit complex architectures and diverse properties that place them at the center of contemporary research in chemistry and materials science. As conventional computational techniques, even multi-scale ones, struggle to capture…
We propose a scheme to realize quantum controlled phase flip (CPF) between two rare earth ions embedded in respective microsphere cavity via interacting with a single-photon pulse in sequence. The numerical simulations illuminate that the…
With the birth of Noisy Intermediate Scale Quantum (NISQ) devices and the verification of "quantum supremacy" in random number sampling and boson sampling, more and more fields hope to use quantum computers to solve specific problems, such…
Control of topological edge modes is desirable for encoding quantum information resiliently against external noise. Their implementation on quantum hardware, however, remains a long-standing problem due to current limitations of circuit…
Quantum chemistry simulations that accurately predict the properties of materials are among the most highly anticipated applications of quantum computing. It is widely believed that simulations running on quantum computers will allow for…
Estimating transition rates in open quantum systems is hampered by computing-resource demands that grow rapidly with system size. We present a quantum-simulation framework that enables efficient estimation by recasting the transition rate,…
We present a framework to simulate the dynamics of hard probes such as heavy quarks or jets in a hot, strongly-coupled quark-gluon plasma (QGP) on a quantum computer. Hard probes in the QGP can be treated as open quantum systems governed in…
Quantum computing (QC) provides a promising avenue toward enabling quantum chemistry calculations, which are classically impossible due to a computational complexity that increases exponentially with system size. As fully fault-tolerant…