Related papers: Size-Consistent Quantum Chemistry on Quantum Compu…
Four decades after Richard Feynman's famous remark, we have reached a stage at which nature can be simulated quantum mechanically. Quantum simulation is among the most promising applications of quantum computing. However, like many quantum…
Quantum computers can be used to address molecular structure, materials science and condensed matter physics problems, which currently stretch the limits of existing high-performance computing resources. Finding exact numerical solutions to…
In this paper we introduce a simple procedure for computing the macroscopic quantum behaviour of periodic quantum systems in the high energy regime. The macroscopic quantum coherence is ascribed to a one-particle state, not to a condensate…
Quantum coherence, the physical property underlying fundamental phenomena such as multi-particle interference and entanglement, has emerged as a valuable resource upon which modern technologies are founded. In general, the most prominent…
Quantum computing enables parallelism through superposition and entanglement and offers advantages over classical computing architectures. However, due to the limitations of current quantum hardware in the noisy intermediate-scale quantum…
The assumption of maximum parallelism support for the successful realization of scalable quantum computers has led to homogeneous, ``sea-of-qubits'' architectures. The resulting architectures overcome the primary challenges of reliability…
Quantum coherence is the key resource for quantum technology, with applications in quantum optics, information processing, metrology and cryptography. Yet, there is no universally efficient method for quantifying coherence either in…
Quantum computing uses the physical principles of very small systems to develop computing platforms which can solve problems that are intractable on conventional supercomputers. There are challenges not only in building the required…
Major obstacles remain to the implementation of macroscopic quantum computing: hardware problems of noise, decoherence, and scaling; software problems of error correction; and, most important, algorithm construction. Finding truly quantum…
Quantum coherences are paramount resources for applications, such as quantum-enhanced light-harvesting or quantum computing, which are fragile against environmental noise. We here derive generalized quantum master equations using…
Quantum chemistry calculations of large, strongly correlated systems are typically limited by the computation cost that scales exponentially with the size of the system. Quantum algorithms, designed specifically for quantum computers, can…
The use of quantum processing units (QPUs) promises speed-ups for solving computational problems. Yet, current devices are limited by the number of qubits and suffer from significant imperfections, which prevents achieving quantum…
With the demonstrated ability to perform calculations in seconds that would take classical supercomputers thousands of years, quantum computers namely hold the promise of radically advancing sustainable IT. However, quantum computers face…
Quantum chemical calculations on quantum computers have been focused mostly on simulating molecules in gas-phase. Molecules in liquid solution are however most relevant for Chemistry. Continuum solvation models represent a good compromise…
Variational quantum algorithms are tailored to perform within the constraints of current quantum devices, yet they are limited by performance-degrading errors. In this study, we consider a noise model that reflects realistic gate errors…
Implementing variational quantum algorithms with noisy intermediate-scale quantum machines of up to a hundred qubits is nowadays considered as one of the most promising routes towards achieving a quantum practical advantage. In multiqubit…
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…
Stable quantum computation requires noisy results to remain bounded even in the presence of noise fluctuations. Yet non-stationary noise processes lead to drift in the varying characteristics of a quantum device that can greatly influence…
Quantum computers are expected to be highly beneficial for chemistry simulations, promising significant improvements in accuracy and speed. The most prominent algorithm for chemistry simulations on NISQ devices is the Variational Quantum…
Quantum chemistry provides a target for quantum simulation of considerable scientific interest and industrial importance. The majority of algorithms to date have been based on a second-quantized representation of the electronic structure…