Related papers: Zero-Point Motion of Liquid and Solid Hydrogen
Metallic hydrogen is expected to exhibit remarkable physics. Of particular interest in this work is the possibility of high-temperature superconductivity. Comparing calculations of the superconducting critical temperatures of the solid…
We construct a generalized Laughlin-liquid wave function and a variational electron solid wave function when the magnetic field is tilted. The energy of the liquid state is evaluated by Monte Carlo methods while the energy of the solid…
The static and dynamical properties of heavy water have been studied at ambient conditions with extensive Car-Parrinello molecular-dynamics simulations in the canonical ensemble, with temperatures ranging between 325 K and 400 K.…
Kinetic energies of a system of $^4$He are investigated at zero temperature. The multi-weight extension to the diffusion Monte Carlo method is used to implement the Feynman-Hellmann theorem in an effective way. This method allows the…
Neutron Compton Scattering measurements presented here of the momentum distribution of hydrogen in water at temperatures slightly below freezing to the supercritical phase show a dramatic change in the distribution as the hydrogen bond…
We present results predicting experimentally measurable structural quantities from molecular dynamics studies of hydrogen. In doing this, we propose a paradigm shift for experimentalists -- that the predictions from such calculations should…
The collective dynamics of liquid Gallium close to the melting point has been studied using Inelastic X-ray Scattering to probe lengthscales smaller than the size of the first coordination shell. %(momentum transfers, $Q$, $>$15 nm$^{-1}$).…
We propose a simple extension of the well known ST2 model for water [F.H. Stillinger and A. Rahman, J. Chem. Phys. {\bf 60}, 1545 (1974)] that allows for a continuous modification of the hydrogen bond angular flexibility. We show that the…
Quantum effects in condensed matter normally only occur at low temperatures. Here we show a large quantum effect in high-pressure liquid hydrogen at thousands of Kelvins. We show that the metallization transition in hydrogen is subject to a…
We introduce an efficient scheme for the molecular dynamics of electronic systems by means of quantum Monte Carlo. The evaluation of the (Born-Oppenheimer) forces acting on the ionic positions is achieved by two main ingredients: i) the…
Liquid deuterium is a fluid between the quantum and classical regimes. It attracts interest from fundamental research for the verification of quantum calculations but also from neutron physics as it is a widely used neutron moderator…
We analyze in detail the electronic properties of high pressure hydrogen around the liquid-liquid phase transition based on Coupled Electron-Ion Monte Carlo calculations. Computing the off-diagonal single particle density matrix and the…
The crystal structure of high-pressure solid hydrogen remains a fundamental open problem. Although the research frontier has mostly shifted toward ultra-high pressure phases above 400 GPa, we show that even the broken symmetry phase…
Collisions of atoms and molecules with metal surfaces create electronic excitations in the metal, leading to nonadiabatic energy dissipation, inelastic scattering, and sticking. Mixed quantum-classical molecular dynamics simulation methods,…
We perform molecular dynamics simulations driven by accurate Quantum Monte Carlo forces on dense liquid hydrogen. Recently it has been reported a complete atomization transition between a mixed-atomic liquid and a completely dissociated…
Phase transformations such as freezing typically start with heterogeneous nucleation. Heterogeneous nucleation near a wetting transition, of a crystalline phase is studied. The wetting transition occurs at or near a vapour-liquid transition…
The effects of density dependence of the symmetry energy on the collective modes and dynamical instabilities of cold and warm nuclear and stellar matter are studied in the framework of relativistic mean-field hadron models. The existence of…
We present the results of large-scale numerical simulations of the mobility of a two-dimensional electron liquid on the helium surface in the presence of a one-dimensional periodic potential. Even where the potential is much weaker than the…
We show that incoherent quasi-elastic neutron scattering (QENS) from molecular liquids reveals a two-state dynamic heterogeneity on a 1 ps timescale, where molecules are either highly confined or are free to undergo relatively large…
We have studied the effect of nonzero bulk viscosity with peak near the lattice QCD predicted crossover temperature $T_{co}\sim 175 MeV$ on charged particle transverse momentum spectra and elliptic flow. The Israel-Stewart theory of 2nd…