J. Samios

发表

Steric hindrance of diffusion controlled reactions

M. López-Quintela, J. Samios, W. Knoche, 1984 .

Collision effects in liquid CCl4: A molecular dynamics study

J. Samios, T. Dorfmüller, 1982 .

Effect of curvature and chirality for hydrogen storage in single-walled carbon nanotubes: a combined ab initio and Monte Carlo investigation.

G. Froudakis, J. Samios, Giannis Mpourmpakis, 2007, The Journal of chemical physics.

Hydrogen bond, electron donor-acceptor dimer, and residence dynamics in supercritical CO(2)-ethanol mixtures and the effect of hydrogen bonding on single reorientational and translational dynamics: A molecular dynamics simulation study.

Ioannis Skarmoutsos, E. Guàrdia, J. Samios, 2010, The Journal of chemical physics.

Monte Carlo Simulation of Gas Adsorption in Single Walled Nanotubes

J. Samios, George P. Lithoxoos, 2019, International Conference of Computational Methods in Sciences and Engineering 2004 (ICCMSE 2004).

On the Different Faces of the Supercritical Phase of Water at a Near-Critical Temperature: Pressure-Induced Structural Transitions Ranging from a Gaslike Fluid to a Plastic Crystal Polymorph.

Ioannis Skarmoutsos, E. Guàrdia, J. Samios, 2021, The journal of physical chemistry. B.

Computer simulation studies of the liquid mixtures water-dimethylsulfoxide using different effective potential models: Thermodynamic and transport properties

J. Samios, M. Chalaris, 2002 .

Molecular dynamics simulations of the liquid mixtures N, N-dimethylformamide-water using available potential models

J. Samios, M. Chalaris, A. Koufou, 2002 .

Molecular dynamics of cis/transN-methylformamide liquid mixture using a new optimized all atom rigid force field

Ioannis Skarmoutsos, J. Samios, 2004 .

Translational correlation function of interaction‐induced dipoles in dense media

J. Samios, T. Dorfmüller, Z. Gburski, 1987 .

Solvation and catalyst–substrate superstructure of a tungsten tris(dithiolene) complex dissolved in water–acetone A molecular dynamics model calculation

J. Samios, D. Dellis, D. Katakis, 1998 .

A study of Ar-N2 supercritical mixtures using neutron scattering, molecular dynamics simulations and quantum mechanical scattering calculations

A. Soper, Ioannis Skarmoutsos, J. Samios, 2019, Journal of Molecular Liquids.

Investigating the Bioactive Conformation of Angiotensin II Using Markov State Modeling Revisited with Web-Scale Clustering.

I. Emiris, F. Noé, Z. Cournia, 2022, Journal of chemical theory and computation.

Local intermolecular structure, hydrogen bonding and related dynamics in the liquid cis/trans N-methylformamide mixture: A density functional theory based Born-Oppenheimer molecular dynamics study

Stefano Mossa, R. L. Mancera, Ioannis Skarmoutsos, 2022, Journal of Molecular Liquids.

Dynamics and drift motion of O2− in supercritical argon

J. Samios, A. D. Koutselos, 2015 .

Transport properties of diatomic ions in moderately dense gases in an electrostatic field

J. Samios, A. D. Koutselos, 2004 .

Structure and dynamics of liquid CS2: Going from ambient to elevated pressure conditions.

Stefano Mossa, Ioannis Skarmoutsos, J. Samios, 2016, The Journal of chemical physics.

Hydrogen Bonding In Aqueous Mixtures Containing Aprotic Solvents: A Computer Simulation Study

J. Samios, M. Chalaris, 2019, International Conference of Computational Methods in Sciences and Engineering 2004 (ICCMSE 2004).

A molecular dynamics simulation study of Li+-Cl− ion pair dissolved in DMF (-d7)

J. Samios, M. Chalaris, 1998 .

New effective method for quantitative analysis of diffusion jumps, applied in molecular dynamics simulations of small molecules dispersed in short chain systems.

T. Raptis, J. Samios, V. Raptis, 2007, The journal of physical chemistry. B.

Local intermolecular structure and dynamics in binary supercritical solutions. A molecular dynamics simulation study of methane in carbon dioxide

Ioannis Skarmoutsos, J. Samios, 2006 .

Molecular dynamics investigations of the electrostatic interactions in liquid carbonyl sulphide

H. Stassen, J. Samios, T. Dorfmüller, 1992 .

Test of effective pair potential models by molecular dynamics simulation on liquid OCS

H. Stassen, J. Samios, T. Dorfmüller, 1992 .

A molecular dynamics simulation of interaction-induced dipole correlation functions in liquid CS2

J. Samios, T. Dorfmüller, 1984 .

A molecular dynamics simulation of interaction-induced FIR absorption spectra of liquid CS2

J. Samios, T. Dorfmüller, U. Mittag, 1986 .

Local structure and translational dynamics of NMF (N-methylformamide)–DMF (N,N-dimethylformamide) mixtures, via molecular dynamics simulation

Ioannis Skarmoutsos, J. Samios, V. Raptis, 2017 .

A study of the micellar aggregation of aqueous N,N,N-decyltrimethyl ammonium chloride via extended microsecond-time atomistic molecular dynamics simulation and realistic potential models

J. Samios, Emmanouil Kainourgiakis, 2021, Journal of Molecular Liquids.

Molecular dynamics simulation of dilute aqueous DMSO solutions. A temperature-dependence study of the hydrophobic and hydrophilic behaviour around DMSO

K. Refson, J. Samios, M. Chalaris, 2004 .

SiC nanotubes: A novel material for hydrogen storage.

G. Froudakis, J. Samios, Giannis Mpourmpakis, 2006, Nano letters.

Hydrogen Bonding in Supercritical Methanol. A Molecular Dynamics Investigation

J. Samios, M. Chalaris, 1999 .

Investigation of the vapor–liquid equilibrium and supercritical phase of pure methane via computer simulations

Ioannis Skarmoutsos, J. Samios, Leonidas I. Kampanakis, 2005 .

Systematic molecular dynamics studies of liquid N,N-dimethylformamide using optimized rigid force fields: Investigation of the thermodynamic, structural, transport and dynamic properties

J. Samios, Jannis Samios, Michalis Chalaris, 2000 .

Far-infrared interaction-induced absorption spectra of CS2C6H6 liquid mixtures

J. Samios, E. Zoidis, T. Dorfmüller, 1992 .

Solvation structure and dynamics of cis- and trans-1,2 dichloroethene isomers in supercritical carbon dioxide. A molecular dynamics simulation study.

Ioannis Skarmoutsos, J. Samios, D. Dellis, 2011, The journal of physical chemistry. B.

Molecular dynamics simulation of the liquid mixtures CCl4/CS2. II: Concentration dependence of the translational and rotational motion

J. Samios, T. Dorfmüller, U. Mittag, 1994 .

A comparative molecular dynamics and neutron scattering study of the liquid mixture carbon tetrachloride/carbon disulphide

J. Samios, P. Chieux, S. Guenster, 1989 .

Molecular dynamics simulation of the liquid mixture CCl4/CS2. I: Thermodynamic and structural properties

J. Samios, T. Dorfmüller, U. Mittag, 1989 .

The far infrared absorption spectrum of liquid nitrogen

J. Samios, T. Dorfmüller, U. Mittag, 1985 .

The isotopic and temperature dependent properties of hydrogen chloride dissolved in carbon tetrachloride. A molecular dynamics approach

J. Samios, G. Chatzis, 2000 .

Structural and dynamical properties of HCl dissolved in CCl4. A molecular dynamics study

J. Samios, G. Chatzis, M. Chalaris, 1998 .

Interaction-induced far infrared spectra of liquid CS2-CCl4 mixtures

J. Samios, T. Dorfmüller, L. Potthast, 1986 .

An investigation of thermodynamics, microscopic structure, depolarized Rayleigh scattering, and collision dynamics in Xe-N2 supercritical mixtures

J. Samios, J. Kłos, S. Marinakis, 2017 .

Concentration effects on collision-induced depolarized Rayleigh lineshapes in CS2/CCl4 mixtures

J. Samios, T. Dorfmüller, F. Strehle, 1991 .

MD Simulation of Depolarized Rayleigh and FIR Spectra in Binary Liquid Mixtures

H. Stassen, J. Samios, U. Mittag, 1992 .

MD Simulations of Liquids with Td, Oh Molecular Symmetry

H. Stassen, J. Samios, T. Dorfmüller, 1992 .

Octupole and hexadecapole induction mechanisms in interaction-induced spectra: a molecular dynamics simulation of liquid CCl4

J. Samios, T. Dorfmüller, U. Mittag, 1986 .

Local density augmentation and dynamic properties of hydrogen-and non-hydrogen-bonded supercritical fluids: a molecular dynamics study.

Ioannis Skarmoutsos, J. Samios, Jannis Samios, 2007, The Journal of chemical physics.

Collision-induced absorption in non-polar molecular liquids: Tetrahedral molecules

J. Samios, T. Dorfmüller, H.-J. Arning, 1982 .

Application of the mode matching model to V-T relaxation in liquid CCl4

J. Samios, D. Samios, T. Dorfmüller, 1983 .

Molecular Dynamics of Liquid Argon: Collision Times and Durations

J. Samios, D. Samios, T. Dorfmüller, 1982 .

Density dependent structural properties of dilute mixtures of OCS with argon. A molecular dynamics investigation

H. Stassen, J. Samios, D. Dellis, 1993 .

Novel approaches to the structure and dynamics of liquids : experiments, theories and simulations

Vladimir A. Durov, J. Samios, Jannis Samios, 2004 .

Recent Advances in the Understanding of Hydrophobic and Hydrophilic Effects: A Theoretical and Computer Simulation Perspective

J. Samios, M. Chalaris, R. Mancera, 2004 .

Translational and rotational dynamics in supercritical methanol from molecular dynamics simulation

J. Samios, M. Chalaris, 2004 .

Investigation of the local composition enhancement and related dynamics in supercritical CO2-cosolvent mixtures via computer simulation: the case of ethanol in CO2.

Ioannis Skarmoutsos, J. Samios, D. Dellis, 2007, The Journal of chemical physics.

Far-infrared absorption spectra of thiophene in liquid solutions with carbon disulfide

J. Samios, E. Zoidis, M. Haritopoulou, 1993 .

Estimation of the Cancellation Effects in Interaction Induced Far-IR Spectra of Liquid Mixtures via MD Simulation. Application to the CCl4/CS2 Mixture at Different Mole Fractions

J. Samios, U. Mittag, 1994 .

Hydration Structure and Dynamics of the Favipiravir Antiviral Drug: A Molecular Modelling Approach

Ioannis Skarmoutsos, E. Guàrdia, G. Maurin, 2020 .

On the interplay between the local structure and dynamics in low concentration mixtures of H2O and HOD in the [Emim+][TF2N−] room temperature ionic liquid

Ioannis Skarmoutsos, J. Samios, Emmanouil Kainourgiakis, 2019, Journal of Molecular Liquids.

The temperature and density dependence of fluid xenon self-diffusion coefficients: a comparison between experimental, theoretical and molecular dynamics results

J. Samios, S. Marinakis, 2005 .

The effect of intermolecular interactions on local density inhomogeneities and related dynamics in pure supercritical fluids. A comparative molecular dynamics simulation study.

Ioannis Skarmoutsos, J. Samios, D. Dellis, 2009, The journal of physical chemistry. B.

Adsorption of N2, CH4, CO and CO2 gases in single walled carbon nanotubes: A combined experimental and Monte Carlo molecular simulation study

L. Peristeras, I. Economou, A. Labropoulos, 2010 .

Investigation of Silicon Model Nanotubes as Potential Candidate Nanomaterials for Efficient Hydrogen Storage : A Combined Ab Initio/Grand Canonical Monte Carlo Simulation Study

J. Samios, George P. Lithoxoos, Yannick Carissan, 2008 .

Molecular simulations of benzene and hexafluorobenzene using new optimized effective potential models: Investigation of the liquid, vapor–liquid coexistence and supercritical fluid phases

Ioannis Skarmoutsos, J. Samios, D. Dellis, 2010 .

The Polar Cosolvent Effect on Caffeine Solvation in Supercritical CO2–Ethanol Mixtures: A Molecular Modeling Approach

Ioannis Skarmoutsos, J. Samios, I. Petsalakis, 2021, Industrial & Engineering Chemistry Research.

Quantitative study of diffusion jumps in atomistic simulations of model gas–polymer systems

T. Raptis, J. Samios, V. Raptis, 2012 .

Molecular force field investigation for Sulfur Hexafluoride: A computer simulation study

J. Samios, D. Dellis, 2010 .

Fingerprints of the Crossing of the Frenkel and Melting Line on the Properties of High-Pressure Supercritical Water.

Ioannis Skarmoutsos, E. Guàrdia, J. Samios, 2022, The journal of physical chemistry letters.

Local structural fluctuations, hydrogen bonding and structural transitions in supercritical water

Elvira Guàrdia, Ioannis Skarmoutsos, E. Guàrdia, 2017 .

Modeling the Impact of Silicon-Carbide Nanotube on the Phospholipid Bilayer Membrane: Study of Nanoindentation and Removal Processes via Molecular Dynamics Simulation

J. Samios, P. Raczyński, Z. Gburski, 2019, The Journal of Physical Chemistry C.

Binary mixtures of supercritical carbon dioxide with methanol. A molecular dynamics simulation study

Georgios Chatzis, J. Samios, Jannis Samios, 2003 .

Translational component of the interaction‐induced dipole correlation functions in dense fluids

J. Samios, T. Dorfmüller, Z. Gburski, 1987 .

Concentration dependent far infrared absorption spectra of the mixtures FURAN/CS2, FURAN/CCl4, FURAN/C6H6

J. Samios, E. Zoidis, M. Haritopoulou, 1991 .

Density dependence of the structural properties and translational diffusion of carbonyl sulphide diluted in monoatomic solvents. A molecular dynamics investigation

J. Samios, D. Dellis, 1996 .

Solvation structure and dynamics of favipiravir in supercritical CO2. A molecular dynamics investigation

Ioannis Skarmoutsos, J. Samios, 2023, Journal of Molecular Liquids.