Related papers: Nuclear quantum effects enter the mainstream
Path integral molecular dynamics simulations, combined with an ab initio evaluation of interactions using electronic structure theory, incorporate the quantum mechanical nature of both the electrons and nuclei, which are essential to…
Nuclear magnetic resonance techniques are used to realize a quantum algorithm experimentally. The algorithm allows a simple NMR quantum computer to determine global properties of an unknown function requiring fewer function ``calls'' than…
The enormous experimental progress in atomic, molecular and optical (AMO) physics during the last decades allows us nowadays to isolate single, a few or even many-body ensembles of microscopic particles, and to manipulate their quantum…
Numerical simulations have become an important tool to understand and predict non-perturbative phenomena in particle physics. In this article we attempt to present a general overview over the field. First, the basic concepts of lattice…
Molecular Dynamics simulations are becoming a powerful tool for examining and predicting atomic and molecular processes in various environment. The present review shows how, in the fields of plasma physics, chemistry and interactions with…
Nuclear quantum effects (NQEs) are often central to a predictive understanding of chemical reactions and rates. While their incorporation in gas-phase reactions is well established, studies involving condensed matter often neglect or…
Quantum particles and classical particles are described in a common setting of classical statistical physics. The property of a particle being "classical" or "quantum" ceases to be a basic conceptual difference. The dynamics differs,…
Quantum backflow is a counterintuitive effect in which the probability density of a free particle moves in the direction opposite to the particle's momentum. If the particle is electrically charged, then the effect can be viewed as the…
Quantum mechanics marks a radical departure from the classical understanding of Nature, fostering an inherent randomness which forbids a deterministic description; yet the most fundamental departure arises from something different. As shown…
In recent years, the combination of precise quantum Monte Carlo (QMC) methods with realistic nuclear interactions and consistent electroweak currents, in particular those constructed within effective field theories (EFTs), has lead to new…
Quantum simulations consist in the intentional reproduction of physical or unphysical models into another more controllable quantum system. Beyond establishing communication vessels between unconnected fields, they promise to solve complex…
Magnetic molecules, modelled as finite-size spin systems, are test-beds for quantum phenomena and could constitute key elements in future spintronics devices, long-lasting nanoscale memories or noise-resilient quantum computing platforms.…
The first step in the construction of a regression model or a data-driven analysis, aiming to predict or elucidate the relationship between the atomic scale structure of matter and its properties, involves transforming the Cartesian…
Advantages of quantum effects in several technologies, such as computation and communication, have already been well appreciated, and some devices, such as quantum computers and communication links, exhibiting superiority to their classical…
Quantum Monte Carlo methods have proved very valuable to study the structure and reactions of light nuclei and nucleonic matter starting from realistic nuclear interactions and currents. These ab-initio calculations reproduce many low-lying…
The landscape of causal relations that can hold among a set of systems in quantum theory is richer than in classical physics. In particular, a pair of time-ordered systems can be related as cause and effect or as the effects of a common…
People are witnessing quantum computing revolutions nowadays. Progress in the number of qubits, coherence times and gate fidelities are happening. Although quantum error correction era has not arrived, the research and development of…
The use of graphics processing units for scientific computations is an emerging strategy that can significantly speed up various different algorithms. In this review, we discuss advances made in the field of computational physics, focusing…
The past few years have witnessed the concrete and fast spreading of quantum technologies for practical computation and simulation. In particular, quantum computing platforms based on either trapped ions or superconducting qubits have…
Attempts to apply Neural Networks (NN) to a wide range of research problems have been ubiquitous and plentiful in recent literature. Particularly, the use of deep NNs for understanding complex physical and chemical phenomena has opened a…