Ioannis Skarmoutsos

University of Ioannina — Greece

Engineering · Physical Sciences

22h-index1.4kcitations65works1.52yr avg
OpenAlex↗ORCID↗Google Scholar↗Lab page↗

Accepting Students?

No reports yet. Know if this professor is taking students?

Research Topics

Phase Equilibria and Thermodynamics(28), Spectroscopy and Quantum Chemical Studies(20), Ionic liquids properties and applications(11), Thermodynamic properties of mixtures(11), Subcritical and Supercritical Water Processes(9)

Publications65 total

Structural transitions in liquid water at high temperatures and pressures: Evidence from molecular simulations
The Journal of Chemical Physics·2026Open Access
Length scales in electrolytes
The Journal of Chemical Physics·2025· 3 cited
Molecular Dynamics of High‐Pressure Liquid Water: Going from Ambient to Near‐Critical Temperatures
Chemistry - A European Journal·2025· 1 citedOpen Access
Solvation Structure and Dynamics of the Thiocyanate Anion in mixed N,N‐Dimethylformamide‐Water Solvents: A Molecular Dynamics Approach
ChemPhysChem·2024· 1 citedOpen Access
A comprehensive molecular dynamics simulation of plastic and liquid succinonitrile: Structural, dynamic, and dielectric properties
The Journal of Chemical Physics·2024· 3 citedOpen Access
Length scales in electrolytes
arXiv (Cornell University)·2024Open Access
Substantial breakdown of the hydrogen-bonding network, local density inhomogeneities and fluid-liquid structural transitions in supercritical octanol-1: A molecular dynamics investigation
The Journal of Chemical Physics·2024· 3 cited
Pillared graphene oxide frameworks for the adsorption and separation of polar protic and aprotic liquid solvents: The cases of pure water, methanol, dimethyl sulfoxide, and dimethyl sulfoxide–water mixtures
The Journal of Chemical Physics·2024· 1 cited
Solvation structure and dynamics of favipiravir in supercritical CO2. A molecular dynamics investigation
Journal of Molecular Liquids·2023· 4 cited
Hydration structure and dynamics, ultraviolet–visible and fluorescence spectra of caffeine in ambient liquid water. A combined classical molecular dynamics and quantum chemical study
Journal of Molecular Liquids·2023· 5 cited
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
Journal of Molecular Liquids·2022· 1 citedOpen Access
Fingerprints of the Crossing of the Frenkel and Melting Line on the Properties of High-Pressure Supercritical Water
The Journal of Physical Chemistry Letters·2022· 6 citedOpen Access
Using Car-Parrinello simulations and microscopic order descriptors to reveal two locally favored structures with distinct molecular dipole moments and dynamics in ambient liquid water
Journal of Molecular Liquids·2022· 15 citedOpen Access
A Computational Study on Phenyldiboronic Acid-Pillared Graphene Oxide Frameworks for Gas Storage and Separation
ACS Applied Nano Materials·2022· 8 cited
Using Car-Parrinello simulations and microscopic order descriptors to reveal two locally favored structures with distinct molecular dipole moments and dynamics in ambient liquid water
arXiv (Cornell University)·2022Open Access
CF<sub>4</sub> Capture and Separation of CF<sub>4</sub>–SF<sub>6</sub> and CF<sub>4</sub>–N<sub>2</sub> Fluid Mixtures Using Selected Carbon Nanoporous Materials and Metal–Organic Frameworks: A Computational Study
ACS Omega·2022· 17 citedOpen Access
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
The Journal of Physical Chemistry B·2021· 20 citedOpen Access
The Polar Cosolvent Effect on Caffeine Solvation in Supercritical CO<sub>2</sub>–Ethanol Mixtures: A Molecular Modeling Approach
Industrial & Engineering Chemistry Research·2021· 20 cited
The Impact of Ionic Liquid Loading in Three-Dimensional Carbon Nanotube Networks on the Separation of CO<sub>2</sub>/CH<sub>4</sub> Fluid Mixtures: Insights from Molecular Simulations
The Journal of Physical Chemistry C·2021· 4 cited
SF6 Capture and Separation of SF6-N2 Fluid Mixtures Using Porous Carbon Nanotube Networks and Pillared Graphene Materials
2021
page 1 of 4Next →

Frequent Co-authors

Jannis Samios(19), E. Guàrdia(13), Guillaume Maurin(6), Dimitris Dellis(5), George E. Froudakis(5), Emmanuel Ν. Koukaras(5), Emmanuel Klontzas(5), Mohamed Eddaoudi(4), Patricia A. Hunt(3), Marco Masia(3), Stefano Mossa(3), George Tamiolakis(3), Ioannis Katafigiotis(3), Constantinos Constantinides(3), Tom Welton(2), Veerapandian Ponnuchamy(2), Athanasios Skarmoutsos(2), Elisavet Tataki(2), Athina Giagini(2), Christos Alamanis(2)