We characterize the behavior of a system of Ne20 atoms in a pure one-dimensional environment between 12 and 30 K by means of path integral Monte Carlo calculations. This is a reasonable model to describe neon absorbed inside a narrow carbon nanotube. When embedded in a bundle of those tubes, this quasi-one-dimensional system can undergo a liquid-gas phase transition if nanotubes are narrow and close enough.Universidad Pablo de Olavide. Departamento de Sistemas Físicos, Químicos y NaturalesVersión del edito
The authors have used atomistic molecular dynamics (MD) simulations to study the structure and dynam...
Programa de Doctorado en Biotecnología, Ingeniería y Tecnología QuímicaLínea de Investigación: Simul...
We examine a single-file chain of ammonia molecules in a carbon nanotube. To this end, we use i) mol...
We report results of diffusion Monte Carlo calculations for both 4He absorbed in a narrow single wal...
By means of path integral Monte Carlo calculations we were able to estimate the chemical potential o...
We have studied molecular hydrogen in a pure 1D geometry and inside a narrow carbon nanotube by mean...
We study the impact of quantum fluctuations on the phase diagram of a realistic quantum liquid, name...
We study the impact of quantum fluctuations on the phase diagram of a realistic quantum liquid, name...
Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)Coordenação de Aperfeiçoamento d...
We present diffusion Monte Carlo calculations of D2 adsorbed inside a narrow carbon nanotube. The on...
Helium atoms are believed to be strongly bound within the interstitial channels in bundles of carbon...
Helium atoms or hydrogen molecules are believed to be strongly bound within the interstitial channel...
Conferencia invitada. -- MOLIM Workshop on Intermolecular Interactions, Faculty of Chemistry, Santia...
Conferencia invitada. -- Conference on Quantum Fluid Clusters, Obergurgl, Austria from 7th to 9th of...
The authors have used atomistic molecular dynamics (MD) simulations to study the structure and dynam...
The authors have used atomistic molecular dynamics (MD) simulations to study the structure and dynam...
Programa de Doctorado en Biotecnología, Ingeniería y Tecnología QuímicaLínea de Investigación: Simul...
We examine a single-file chain of ammonia molecules in a carbon nanotube. To this end, we use i) mol...
We report results of diffusion Monte Carlo calculations for both 4He absorbed in a narrow single wal...
By means of path integral Monte Carlo calculations we were able to estimate the chemical potential o...
We have studied molecular hydrogen in a pure 1D geometry and inside a narrow carbon nanotube by mean...
We study the impact of quantum fluctuations on the phase diagram of a realistic quantum liquid, name...
We study the impact of quantum fluctuations on the phase diagram of a realistic quantum liquid, name...
Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)Coordenação de Aperfeiçoamento d...
We present diffusion Monte Carlo calculations of D2 adsorbed inside a narrow carbon nanotube. The on...
Helium atoms are believed to be strongly bound within the interstitial channels in bundles of carbon...
Helium atoms or hydrogen molecules are believed to be strongly bound within the interstitial channel...
Conferencia invitada. -- MOLIM Workshop on Intermolecular Interactions, Faculty of Chemistry, Santia...
Conferencia invitada. -- Conference on Quantum Fluid Clusters, Obergurgl, Austria from 7th to 9th of...
The authors have used atomistic molecular dynamics (MD) simulations to study the structure and dynam...
The authors have used atomistic molecular dynamics (MD) simulations to study the structure and dynam...
Programa de Doctorado en Biotecnología, Ingeniería y Tecnología QuímicaLínea de Investigación: Simul...
We examine a single-file chain of ammonia molecules in a carbon nanotube. To this end, we use i) mol...