Related papers: Carbamazepine solubility in supercritical CO$_2$: …
We perform large-scale Quantum Monte Carlo (QMC) simulations for strongly interacting bosons in a 2D optical lattice trap, and confirm an excellent agreement with the benchmarking in-situ density measurements by the Chicago group [1]. We…
We investigate the superconductivity of carbon compounds with a sodalite structure, which are similar to hydrogen compounds showing the high-temperature superconductivity. A systematic analysis by first-principles calculations is carried…
We numerically analyze superconductivity (SC) in the cuprate superconductors by using ab initio effective Hamiltonians consisting of the antibonding combination of Cu $3d_{x^2-y^2}$ and O $2p_{\sigma}$ orbitals. We perform variational Monte…
We have observed several cloud cores in the Orion B (L1630) molecular cloud in the 2-1 transitions of C18O, C17O and 13C18O. We use these data to show that a model where the cores consist of very optically thick C18O clumps cannot explain…
C17O (J=2-1) observations have been carried out towards the pre-stellar core L1689B. By comparing the relative strengths of the hyperfine components of this line, the emission is shown to be optically thin. This allows accurate CO column…
Recent studies of hydrogen-dominant (superhydride) materials, such as LaH10 have led to putative discoveries of near-room temperature superconductivity at high pressures, with a superconducting transition temperature (Tc) of 250 K observed…
Superconductivity was recently observed in the iron-arsenic-based compounds with a superconducting transition temperature (Tc) as high as 56K [1-7], naturally raising comparisons with the high Tc copper oxides. The copper oxides have…
(Ca$_{x}$Sr$_{1-x}$)$_3$Rh$_4$Sn$_{13}$ is a rare system that has been shown to display an interesting interplay between structural quantum criticality and superconductivity. A putative structural quantum critical point, which is hidden…
We study various properties of bosons in two dimensions interacting only via onsite hardcore repulsion. In particular, we use the lattice spin-wave approximation to calculate the ground state energy, the density, the condensate density and…
The interaction of CO with the Fe3O4(001)-(rt2xrt2)R45{\deg} surface was studied using temperature programmed desorption (TPD), scanning tunneling microscopy (STM) and x-ray photoelectron spectroscopy (XPS), the latter both under ultrahigh…
The thermodynamic behavior of calcium oxide (\ce{CaO}) under high temperature and pressure conditions is critical for understanding the physics of planetary interiors. This study employs molecular dynamics (MD) simulations, including both…
Liquid NaSn alloys in five different compositions (20, 40, 50, 57 and 80% sodium) are studied using density functional calculations combined with molecular dynamics(Car-Parrinello method). The frequency-dependent electric conductivities for…
The behaviour of partially ionized hot compressed matter is critical to the study of planetary interiors as well as for nuclear fusion studies. A recent quantum study of carbon in the 10-70 Gbar range and at a temperature of 100 eV used…
Single crystals of Ca$_3$(Ir$_{1-x}$Rh$_x$)$_4$Sn$_{13}$ (3-4-13) were synthesized by flux growth and characterized by X-ray diffraction, EDX, magnetization, resistivity and radio frequency magnetic susceptibility tunnel diode resonator…
A density-functional theory is established for inhomogeneous superfluids at finite temperature, subject to time-dependent external fields in isothermal conditions. After outlining parallelisms between a neutral superfluid and a charged…
Molecular Dynamics simulations are performed on two sodium chloride solutions in TIP4P water with concentrations c=1.36 mol/kg and c=2.10 mol/kg upon supercooling. The isotherms and isochoresplanes are calculated. The temperature of maximum…
We predict superconductivity for the carbon-boron clathrate SrB3C3 at 27-43 K for Coulomb pseudopotential (mu*) values between 0.17 and 0.10 using first-principles calculations with conventional electron-phonon coupling. Electrical…
We report the observation of superconductivity in high-quality Cd$_2$Re$_2$O$_7$ single crystals with room-temperature pyrochlore structure. Resistivity and ac susceptibility measurements establish an onset transition temperature…
We develop a new 1D photochemical kinetics code to address stratospheric chemistry and stratospheric heating in hot Jupiters. Here we address optically active S-containing species and CO2 at 1200 < T < 2000 K. HS (mercapto) and S2 are…
The radicals HCO and CH$_3$ on carbon monoxide ice surfaces were simulated using density functional theory. Their binding energy on amorphous CO ice shows broad distributions, with approximative average values of 500 K for HCO and 200 K for…