CLOSE

Romanos, G., Vergadou, N. and Economou, I.G., Ionic Liquids in Carbon Capture CRC Press, Pages: 73-141, 2022 [doi]

Ricci, Eleonora, Giannakopoulos, George, Karkaletsis, Vangelis, Theodorou, Doros N. and Vergadou, Niki, Developing Machine-Learned Potentials for Coarse-Grained Molecular Simulations: Challenges and Pitfalls Article Number: 51, 2022 [doi]

Nasikas, Dimitris, Ricci, Eleonora, Giannakopoulos, George, Karkaletsis, Vangelis, Theodorou, Doros N. and Vergadou, Niki, Investigation of Machine Learning-Based Coarse-Grained Mapping Schemes for Organic Molecules Article Number: 51, 2022 [doi]

Ricci, E., Vergadou, N., Vogiatzis, G.G., De Angelis, M.G. and Theodorou, D.N., Molecular Simulations and Mechanistic Analysis of the Effect of CO2Sorption on Thermodynamics, Structure, and Local Dynamics of Molten Atactic Polystyrene Macromolecules, Volume 53, Pages: 3669-3689, 2020 [doi]

Vergadou, N. and Theodorou, D.N., Molecular modeling investigations of sorption and diffusion of small molecules in Glassy polymers Membranes, Volume 9, Article Number: 98, 2019 [doi]

Economou, I.G., Krokidas, P., Michalis, V.K., Moultos, O.A., Tsimpanogiannis, I.N. and Vergadou, N., The role of molecular thermodynamics in developing industrial processes and novel products that meet the needs for a sustainable future Pages: 635-660, 2017 [doi]

Vergadou, N., Androulaki, E. and Economou, I.G., Molecular Simulation Methods for CO2 Capture and Gas Separation With Emphasis to Ionic Liquids Taylor and Francis, Pages: 79-111, 2017 [doi]

Vergadou, N., Molecular simulation of ionic liquids: Complex dynamics and structure Volume 219, Pages: 297-312, 2017 [doi]

Vergadou, N., Androulaki, E., Hill, J.-R. and Economou, I.G., Molecular simulations of imidazolium-based tricyanomethanide ionic liquids using an optimized classical force field Physical Chemistry Chemical Physics, Volume 18, Pages: 6850-6860, 2016 [doi]

Kritikos, G., Vergadou, N. and Economou, I.G., Molecular Dynamics Simulation of Highly Confined Glassy Ionic Liquids Journal of Physical Chemistry C, Volume 120, Pages: 1013-1024, 2016 [doi]

LOAD MORE

Disclaimer: Publications of INN count all publications involving members of its constituent groups, including those authored when members were working in other Institutions (i.e. without INN affiliation). We apologize for this inconvenience due to method used to find group publications, and declare that the Institute has no claims over publications involving non-INN affiliations.

Skip to content