We have studied molecular hydrogen in a pure 1D geometry and inside a narrow carbon nanotube by means of the diffusion Monte Carlo method. The one dimensionality of H2 in the nanotube is well maintained in a large density range, this system being closer to an ideal 1D fluid than liquid 4He in the same setup. H2 shares with 4He the existence of a stable liquid phase and a quasicontinuous liquid-solid transition at very high linear densities. $1 ^{1}B^{+}_{u} \leftarrow 1 ^{1}A^{-}_{g}$Universidad Pablo de Olavide. Departamento de Sistemas Físicos, Químicos y NaturalesVersión del edito
We present systematic molecular dynamics simulation studies of hydrogen storage in single walled car...
Path integral Monte Carlo calculations were used to study a 2D system of H2 molecules. The ground st...
A study on the quantum dynamics of the hydrogen molecule embedded in the hollow cavity of a Single- ...
We present diffusion Monte Carlo calculations of D2 adsorbed inside a narrow carbon nanotube. The on...
We have studied the ground-state properties of para-hydrogen in one dimension and in quasi-one-dimen...
We report results of diffusion Monte Carlo calculations for both 4He absorbed in a narrow single wal...
By means of diffusion Monte Carlo calculations, we obtained the complete phase diagrams of H2 adsorb...
We present molecular dynamics simulation evidence of spontaneous formation of quasi-one-dimensional ...
We present molecular dynamics simulation evidence of spontaneous formation of quasi-one-dimensional ...
Physisorption and storage of molecular hydrogen on single-walled carbon nanotube (SWCNT) of various ...
We present quantum dynamics calculations of the diffusion constant of H2 and D2 along a single-walle...
We characterize the behavior of a system of Ne20 atoms in a pure one-dimensional environment between...
We present systematic molecular dynamics simulation studies of hydrogen storage in single walled car...
Path integral Monte Carlo calculations were used to study a 2D system of H2 molecules. The ground st...
A study on the quantum dynamics of the hydrogen molecule embedded in the hollow cavity of a Single- ...
We present diffusion Monte Carlo calculations of D2 adsorbed inside a narrow carbon nanotube. The on...
We have studied the ground-state properties of para-hydrogen in one dimension and in quasi-one-dimen...
We report results of diffusion Monte Carlo calculations for both 4He absorbed in a narrow single wal...
By means of diffusion Monte Carlo calculations, we obtained the complete phase diagrams of H2 adsorb...
We present molecular dynamics simulation evidence of spontaneous formation of quasi-one-dimensional ...
We present molecular dynamics simulation evidence of spontaneous formation of quasi-one-dimensional ...
Physisorption and storage of molecular hydrogen on single-walled carbon nanotube (SWCNT) of various ...
We present quantum dynamics calculations of the diffusion constant of H2 and D2 along a single-walle...
We characterize the behavior of a system of Ne20 atoms in a pure one-dimensional environment between...
We present systematic molecular dynamics simulation studies of hydrogen storage in single walled car...
Path integral Monte Carlo calculations were used to study a 2D system of H2 molecules. The ground st...
A study on the quantum dynamics of the hydrogen molecule embedded in the hollow cavity of a Single- ...