SiC nanotubes: a novel material for hydrogen storage G Mpourmpakis, GE Froudakis, GP Lithoxoos, J Samios
Nano letters 6 (8), 1581-1583, 2006
410 2006 Adsorption of N2, CH4, CO and CO2 gases in single walled carbon nanotubes: A combined experimental and Monte Carlo molecular simulation study GP Lithoxoos, A Labropoulos, LD Peristeras, N Kanellopoulos, J Samios, ...
The Journal of Supercritical Fluids 55 (2), 510-523, 2010
164 2010 Hydrogen bonding in supercritical methanol. A molecular dynamics investigation M Chalaris, J Samios
The Journal of Physical Chemistry B 103 (7), 1161-1166, 1999
92 1999 Novel approaches to the structure and dynamics of liquids: experiments, theories and simulations J Samios, VA Durov
Springer Science & Business Media, 2013
80 2013 Molecular dynamics simulation of dilute aqueous DMSO solutions. A temperature-dependence study of the hydrophobic and hydrophilic behaviour around DMSO RL Mancera, M Chalaris, K Refson, J Samios
Physical Chemistry Chemical Physics 6 (1), 94-102, 2004
79 2004 Binary mixtures of supercritical carbon dioxide with methanol. A molecular dynamics simulation study G Chatzis, J Samios
Chemical physics letters 374 (1-2), 187-193, 2003
75 2003 Systematic molecular dynamics studies of liquid M Chalaris, J Samios
The Journal of Chemical Physics 112 (19), 8581-8594, 2000
73 2000 The concentration effect on the ‘hydrophobic’and ‘hydrophilic’behaviour around DMSO in dilute aqueous DMSO solutions. A computer simulation study RL Mancera, M Chalaris, J Samios
Journal of molecular liquids 110 (1-3), 147-153, 2004
69 2004 Effect of curvature and chirality for hydrogen storage in single-walled carbon nanotubes: A Combined ab initio and Monte Carlo investigation G Mpourmpakis, GE Froudakis, GP Lithoxoos, J Samios
The Journal of chemical physics 126 (14), 2007
57 2007 Hydrogen bond, electron donor-acceptor dimer, and residence dynamics in supercritical CO2-ethanol mixtures and the effect of hydrogen bonding on single reorientational and … I Skarmoutsos, E Guardia, J Samios
The Journal of chemical physics 133 (1), 2010
54 2010 Local density inhomogeneities and dynamics in supercritical water: A molecular dynamics simulation approach I Skarmoutsos, J Samios
The Journal of Physical Chemistry B 110 (43), 21931-21937, 2006
48 2006 A molecular dynamics simulation of interaction-induced FIR absorption spectra of liquid CS2 J Samios, U Mittag, T Dorfmüller
Molecular Physics 59 (1), 65-79, 1986
47 1986 The effect of intermolecular interactions on local density inhomogeneities and related dynamics in pure supercritical fluids. A comparative molecular dynamics simulation study I Skarmoutsos, D Dellis, J Samios
The Journal of Physical Chemistry B 113 (9), 2783-2793, 2009
46 2009 Investigation of silicon model nanotubes as potential candidate nanomaterials for efficient hydrogen storage: a combined ab initio/grand canonical Monte Carlo simulation study GP Lithoxoos, J Samios, Y Carissan
The Journal of Physical Chemistry C 112 (43), 16725-16728, 2008
45 2008 Local structural fluctuations, hydrogen bonding and structural transitions in supercritical water I Skarmoutsos, E Guardia, J Samios
The Journal of Supercritical Fluids 130, 156-164, 2017
43 2017 Investigation of the local composition enhancement and related dynamics in supercritical CO2-cosolvent mixtures via computer simulation: the case of ethanol in CO2 I Skarmoutsos, D Dellis, J Samios
The Journal of chemical physics 126 (22), 2007
41 2007 Molecular force field investigation for Sulfur Hexafluoride: A computer simulation study D Dellis, J Samios
Fluid phase equilibria 291 (1), 81-89, 2010
40 2010 Pressure and temperature dependence of the hydrogen bonding in supercritical ethanol: A computer simulation study D Dellis, M Chalaris, J Samios
The Journal of Physical Chemistry B 109 (39), 18575-18590, 2005
40 2005 Investigation of the vapor–liquid equilibrium and supercritical phase of pure methane via computer simulations I Skarmoutsos, LI Kampanakis, J Samios
Journal of molecular liquids 117 (1-3), 33-41, 2005
38 2005 Local density augmentation and dynamic properties of hydrogen-and non-hydrogen-bonded supercritical fluids: A molecular dynamics study I Skarmoutsos, J Samios
The Journal of chemical physics 126 (4), 2007
37 2007 