Related papers: Divergences in classical and quantum linear respon…
Accurate modeling of the response of molecular systems to an external electromagnetic field is challenging on classical computers, especially in the regime of strong electronic correlation. In this paper, we develop a quantum linear…
Determining the properties of molecules and materials is one of the premier applications of quantum computing. A major question in the field is how to use imperfect near-term quantum computers to solve problems of practical value. Inspired…
Extracting molecular properties from a wave function can be done through the linear response (LR) formalism or, equivalently, the equation of motion (EOM) formalism. For a simple model system, He in a 6-31G basis, it is here shown that…
The prediction of spectral properties via linear response (LR) theory is an important tool in quantum chemistry for understanding photo-induced processes in molecular systems. With the advances of quantum computing, we recently adapted this…
Accurately predicting response properties of molecules such as the dynamic polarizability and hyperpolarizability using quantum mechanics has been a long-standing challenge with widespread applications in material and drug design. Classical…
Quantum reservoir computers (QRC) and quantum extreme learning machines (QELM) aim to efficiently post-process the outcome of fixed -- generally uncalibrated -- quantum devices to solve tasks such as the estimation of the properties of…
Quantum metrology studies quantum strategies which enable us to outperform their classical counterparts. In this framework, the existence of perfect classical reference frames is usually assumed. However, such ideal reference frames might…
Physical implementations of quantum information processing devices are generally not unique, and we are faced with the problem of choosing the best implementation. Here, we consider the sensitivity of quantum devices to variations in their…
The promise of quantum computing to circumvent the exponential scaling of quantum chemistry has sparked a race to develop chemistry algorithms for quantum architecture. However, most works neglect the quantum-inherent shot noise, let alone…
We investigate the quantum equation of motion (qEOM), a hybrid quantum-classical algorithm for computing excitation properties of a fermionic many-body system, with a particular emphasis on the strong-coupling regime. The method is designed…
Quantum computing promises to speed up some of the most challenging problems in science and engineering. Quantum algorithms have been proposed showing theoretical advantages in applications ranging from chemistry to logistics optimization.…
Error-correcting codes were invented to correct errors on noisy communication channels. Quantum error correction (QEC), however, may have a wider range of uses, including information transmission, quantum simulation/computation, and…
The computation of molecular excitation energies is essential for predicting photo-induced reactions of chemical and technological interest. While the classical computing resources needed for this task scale poorly, quantum algorithms…
Simulating response properties of molecules is crucial for interpreting experimental spectroscopies and accelerating materials design. However, it remains a long-standing computational challenge for electronic structure methods on classical…
Non-relativistic quantum mechanics is reformulated here based on the idea that relational properties among quantum systems, instead of the independent properties of a quantum system, are the most fundamental elements to construct quantum…
Quantum computation consists of a quantum state corresponding to a solution, and measurements with some observables. To obtain a solution with an accuracy $\epsilon$, measurements $O(n/\epsilon^2)$ are required, where $n$ is the size of a…
Several quantities of interest in quantum information, including entanglement and purity, are nonlinear functions of the density matrix and cannot, even in principle, correspond to proper quantum observables. Any method aimed to determine…
Quantum error correcting codes have been shown to have the ability of making quantum information resilient against noise. Here we show that we can use quantum error correcting codes as diagnostics to characterise noise. The experiment is…
The conflict between Quantum Mechanics (QM) and the intuitive concepts of Locality and Realism (LR) is manifest in the correlation between measurements performed in remote regions of a spatially spread entangled state. In this paper, it is…
The article presents an introductory review of quantum algorithms for non-relativisitc as well as relativistic four component molecular energy calculations developed in past few years.