Related papers: Nuclear quantum effects in water
The first experimental evidence of quantum Drude oscillator behavior in liquids is determined using probabilistic machine learning-augmented iterative Boltzmann inversion applied to noble gas radial distribution functions. Furthermore,…
A discrete-event approach, which has already been shown to give a cause-and-effect explanation of many quantum optics experiments, is applied to single-neutron interferometry experiments. The simulation algorithm yields a logically…
Studies of strongly nonlinear dynamical systems such as turbulent flows call for superior computational prowess. With the advent of quantum computing, a plethora of quantum algorithms have demonstrated, both theoretically and…
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…
We investigate the effect of nuclear quantum effects (NQEs) of hydrogen atoms on the elasticity of ice VII at high pressure and ambient temperature conditions using ab initio path-integral molecular dynamics (PIMD) calculations. We find…
Hard scattering events in high-energy collisions produce highly virtual partons that subsequently fragment into collimated hadronic cascades. When such partonic showers evolve in a QCD medium, as in deep-inelastic scattering or heavy-ion…
Quantum computers hold great promise for arriving at exact simulations of nuclear dynamical processes (e.g., scattering and reactions) that are paramount to the study of nuclear matter at the limit of stability and to explaining the…
The treatment of nuclear effects in neutrino-nucleus interactions is one of the main sources of systematic uncertainty for the analysis and interpretation of data of neutrino oscillation experiments. Neutrinos interact with nuclei via…
The driving of vibrational motion by external electric fields is a topic of continued interest, due to the possibility of assessing new or metastable material phases with desirable properties. Here, we combine ab initio molecular dynamics…
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…
Path-integral ab initio molecular dynamics (PI-AIMD) calculations have been employed to probe the nature of chloride ion solvation in aqueous solution. Nuclear quantum effects (NQEs) are shown to weaken hydrogen bonding between the chloride…
Accurately quantifying the energy loss rate of proton beams in liquid water is crucial for the precise application and improvement of proton therapy, whereas the slowing down of proton in water ices also plays an important role in…
The scattering of a neutrino on atomic electrons is considered in the situation where the energy transferred to the electrons is comparable to the characteristic atomic energies, as relevant to the current experimental search for neutrino…
Cross sections are calculated for neutrino scattering off heavy nuclei at energies below 50 MeV. The theory of Fermi liquid is applied to estimate the rate of neutrino-nucleon elastic and inelastic scattering in a nuclear medium in terms of…
Novel experimental and computational studies have uncovered the proton momentum distribution in hydrogen bonded systems. In this work, we utilize recently developed open path integral Car-Parrinello molecular dynamics methodology in order…
Traditionally, it has been assumed that the stopping of a swift ion travelling through matter can be understood in terms of two essentially independent components, i.e. electronic vs. nuclear. Performing extensive Ehrenfest MD simulations…
Thorough modeling of the physics involved in liquid argon calorimetry is essential for accurately predicting the performance of DUNE and optimizing its design and analysis pipeline. At the fundamental level, it is essential to quantify the…
We revisit the long-standing question of whether water molecules dissociate on the Ru(0001) surface through nanosecond-scale path-integral molecular dynamics simulations on a sizable supercell. This is made possible through the development…
Scattering of neutrons in the 24-150 keV incident energy range from H2O relative to that of D2O and H2O-D2O mixtures was reported very recently. Studying time-of-flight integrated intensities, the applied experimental procedure appears to…
Using hadron dynamics we calculate nuclear transparencies for protons, knocked-out in high-$Q^2$, semi-inclusive reactions. Predicted transparencies are, roughly half a standard deviation above the NE18 data. The latter contain the effects…