Related papers: Validation of Quantum Computing for Transition Met…
In quantum/classical (QM/CM) partitioning methods for multi-scale modeling, one is often forced to introduce uncontrolled phenomenological effects of the environment (CM) in the quantum (QM) domain as ab initio quantum calculations are…
We explore the near-term intersection of quantum computing with the transport sector. To support near-term integration, we introduce a framework for assessing the suitability of transport optimization problems for obtaining potential…
In order to qualify quantum algorithms for industrial NP-Hard problems, comparing them to available polynomial approximate classical algorithms and not only to exact ones -- exponential by nature -- , is necessary. This is a great challenge…
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…
This work demonstrates a systematic implementation of hybrid quantum-classical computational methods for investigating corrosion inhibition mechanisms on aluminum surfaces. We present an integrated workflow combining density functional…
This whitepaper surveys the current landscape and short- to mid-term prospects for quantum-enabled optimization and machine learning use cases in industrial settings. Grounded in the QCHALLenge program, it synthesizes hardware trajectories…
Major players in the global aerospace industry are shifting their focus toward achieving net carbon-neutral operations by 2050. A considerable portion of the overall carbon emission reduction is expected to come from new aircraft…
We introduce quantum utility, a new approach to evaluating quantum performance that aims to capture the user experience by including overhead costs associated with the quantum computation. A demonstration of quantum utility by a quantum…
Quantum computing has made considerable progress in recent years in both software and hardware. But to unlock the power of quantum computers in solving problems that cannot be efficiently solved classically, quantum computing at scale is…
The current state of quantum computing is commonly described as the Noisy Intermediate-Scale Quantum era. Available computers contain a few dozens of qubits and can perform a few dozens of operations before the inevitable noise erases all…
Accurate quantum chemistry simulations remain challenging on classical computers for problems of industrially relevant sizes and there is reason for hope that quantum computing may help push the boundaries of what is technically feasible.…
As quantum hardware continues to improve, more and more application scientists have entered the field of quantum computing. However, even with the rapid improvements in the last few years, quantum devices, especially for quantum chemistry…
We developed a general framework for hybrid quantum-classical computing of molecular and periodic embedding approaches based on an orbital space separation of the fragment and environment degrees of freedom. We demonstrate its potential by…
We propose an approach to measure the quantum phase of an electron in a non-Abelian system using the algorithm of Quantum Phase Estimation (QPE). The discrete-path systems were previously studied in the context of square or rectangular…
Quantum computers show potential for achieving computational advantage over classical computers, with many candidate applications in combinatorial optimisation. We present an application level benchmarking framework for near-term quantum…
Quantum state preparation is a fundamental primitive in quantum algorithms for encoding classical data into quantum amplitudes. We compare the cost of preparing general $n$-qubit states with real amplitudes using two common paradigms:…
Quantum computing is a game-changing technology for global academia, research centers and industries including computational science, mathematics, finance, pharmaceutical, materials science, chemistry and cryptography. Although it has seen…
Quantum algorithms for molecular electronic structure have been developed with lower computational scaling than their classical counterparts, but emerging quantum hardware is far from being capable of the coherence,connectivity and gate…
Accurate computation of non-covalent, intermolecular interaction energies is important to understand various chemical phenomena, and quantum computers are anticipated to accelerate it. Although the state-of-the-art quantum computers are…
Quantum optimization has emerged as a promising frontier of quantum computing, providing novel numerical approaches to mathematical optimization problems. The main goal of this paper is to facilitate interdisciplinary research between the…