Related papers: Rare-gas solids under pressure: A path-integral Mo…
The structural properties of amorphous GeO$_2$, a prototypical network glass, were investigated under ambient to high pressure using reverse Monte Carlo simulations based on reported structure factors from in situ high-pressure neutron…
The stability of high-pressure phases of hydrogen remains a central question in condensed matter physics, where both experimental observations and theoretical predictions are highly sensitive to methodological choices. Here, we revisit the…
There is growing interest in warm dense matter (WDM) -- an exotic state on the border between condensed matter and plasmas. Due to the simultaneous importance of quantum and correlation effects WDM is complicated to treat theoretically. A…
Understanding the mechanism of structural phase transitions in rare-earth elements is a fundamental challenge in condensed matter physics, with significant implications for materials science applications. In this study, we present a…
We present a first-principles study of the energy and elastic properties of solid helium at pressures below the range in which is energetically stable. We find that the limit of mechanical stability in hcp 4He is $P_{s}$ = -33.82 bar, which…
The precise theoretical determination of the geometrical parameters of molecules at the minima of their potential energy surface and of the corresponding vibrational properties are of fundamental importance for the interpretation of…
We study a one dimensional gas of needle-like objects as a testing ground for a formalism that relates the thermodynamic properties of "hard" potentials to the probabilities for contacts between particles. Specifically, we use Monte Carlo…
The use of pressure to obtain new materials that can be recovered under ambient conditions is a central problem in high-pressure physics. Despite decades of research, this goal has only been achieved in the laboratory for a few notable…
Non-equilibrium vibrational dissociation of CO$_2$ at low translational-rotational temperatures $T$ is investigated computationally for conditions of microwave induced plasmas. Semi-analytic treatment of vibrational relaxation in CO$_2$ in…
Rare-earth doped crystals have numerous applications ranging from frequency metrology to quantum information processing. To fully benefit from their exceptional coherence properties, the effect of mechanical strain on the energy levels of…
Structural stability and vibrational properties of KN$_3$ have been studied under pressure using the first principles calculations based on the density functional theory (DFT) as well as with semi empirical dispersion correction to the DFT…
We present numerical simulations of gravito-inertial waves propagating in radiative zones of rapidly rotating stars. A first model, using the Boussinesq approximation, allows us to study the oscillations of a quasi-incompressible stratified…
We study particle acceleration in strongly turbulent pair plasmas using novel 3D Particle-in-Cell simulations, featuring particle injection from an external heat bath and diffusive escape. We demonstrate the formation of steady-state,…
We present a tethered Monte Carlo simulation of the crystallization of hard spheres. Our method boosts the traditional umbrella sampling to the point of making practical the study of constrained Gibb's free energies depending on several…
The gas equation of state may be one of the critical factors for the disk instability theory of gas giant planet formation. This letter addresses the treatment of H$_2$ in hydrodynamical simulations of gravitationally unstable disks. In our…
Several properties of trapped hard sphere bosons are evaluated using variational Monte Carlo techniques. A trial wave function composed of a renormalized single particle Gaussian and a hard sphere Jastrow function for pair correlations is…
We develop an all-electron quantum Monte Carlo (QMC) method for solids that does not rely on pseudopotentials, and use it to construct a primary ultra-high pressure calibration based the equation of state of cubic boron nitride(c-BN). We…
We study the effect of rotation and the consequent angular momentum fluctuations in a hadron resonance gas produced in ultra-relativistic heavy ion collisions. The rotational susceptibilities ($\chi_{\rm \omega}$, $\chi^{2}_{\rm \omega}$,…
We compute the pressure, chiral condensate and strange quark number susceptibility from first principles within perturbative QCD at finite temperature and very high magnetic fields up to next-to-leading order and physical quark masses. The…
We introduce the model of inelastic hard spheres with random restitution coefficient $\alpha$, in order to account for the fact that, in a vertically shaken granular system interacting elastically with the vibrating boundary, the energy…