Related papers: Fullerene-encapsulated Cyclic Ozone for the Next G…
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…
Quantum computing presents a promising alternative to classical computational methods for modeling strongly correlated materials with partially filled d orbitals. In this study, we perform a comprehensive quantum resource estimation using…
Quantum computers are special purpose machines that are expected to be particularly useful in simulating strongly correlated chemical systems. The quantum computer excels at treating a moderate number of orbitals within an active space in a…
Understanding complex chemical systems -- such as biomolecules, catalysts, and novel materials -- is a central goal of quantum simulations. Near-term strategies hinge on the use of variational quantum eigensolver (VQE) algorithms combined…
Finite-time quantum heat engines (QHEs) typically extract less work than their quasistatic counterparts because fast driving generates coherences and non-adiabatic transitions during the work strokes, a phenomenon commonly referred to as…
Quantum computers are expected to perform the full-configuration interaction calculations with less computational resources compared to classical ones, thanks to the use of the quantum phase estimation (QPE) algorithms. However, only a…
We present a brief critical review of the proposals for quantum computation with trapped ions, with particular emphasis on the possibilities for quantum computation without the need for cooling to the quantum ground state of the ions'…
A family of Variational Quantum Eigensolver (VQE) methods is designed to maximize the resource of existing noisy intermediate-scale quantum (NISQ) devices. However, VQE approaches encounter various difficulties in simulating molecules of…
Quantum computing holds the promise of substantially speeding up computationally expensive tasks, such as solving optimization problems over a large number of elements. In high-energy collider physics, quantum-assisted algorithms might…
Artificial magnetic molecules can contribute to progressing towards large scale quantum computation by: a) integrating multiple quantum resources and b) reducing the computational costs of some applications. Chemical design, guided by…
We have found that encapsulated atoms in fullerene molecules, which carry a spin, can be used for fast quantum computing. We describe the scheme for performing quantum computations, going through the preparation of the qubit state and the…
Identifying jets formed in high-energy particle collisions requires solving optimization problems over potentially large numbers of final-state particles. In this work, we consider the possibility of using quantum computers to speed up jet…
We present a realistic implementation of a quantum engine powered by a phaseonium gas of coherently prepared three-level atoms -- where quantum coherence acts as a thermodynamic resource. Using a collision model framework for…
Recent investigations have demonstrated that multi-phonon scattering processes substantially influence the thermal conductivity of materials, posing significant computational challenges for classical simulations as the complexity of phonon…
The advent of hybrid computing platforms consisting of quantum processing units integrated with conventional high-performance computing brings new opportunities for algorithm design. By strategically offloading select portions of the…
Numerical simulation of turbulent fluid dynamics needs to either parameterize turbulence-which introduces large uncertainties-or explicitly resolve the smallest scales-which is prohibitively expensive. Here we provide evidence through…
The variational quantum eigensolver (VQE) is one of the most appealing quantum algorithms to simulate electronic structure properties of molecules on near-term noisy intermediate-scale quantum devices. In this work, we generalize the VQE…
A potential quantum information processor is proposed using a fullerene peapod, i.e., an array of the endohedral fullerenes 15N@C60 or 31P@C60 contained in a single walled carbon nanotube (SWCNT). The qubits are encoded in the nuclear spins…
Quantum phase estimation (QPE) is a promising quantum algorithm for obtaining molecular ground-state energies with chemical accuracy. However, its computational cost, dominated by the Hamiltonian 1-norm $\lambda$ and the cost of the block…
Nuclear quantum effects such as zero-point energy and hydrogen tunnelling play a central role in many biological and chemical processes. The nuclear-electronic orbital (NEO) approach captures these effects by treating selected nuclei…