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The Journal of Physical Chemistry. B|March 8, 2023
Integrating Machine Learning in the Coarse-Grained Molecular Simulation of PolymersEleonora Ricci, Niki VergadouMacromolecules|April 8, 2021
Molecular Simulations and Mechanistic Analysis of the Effect of CO2 Sorption on Thermodynamics, Structure, and Local Dynamics of Molten Atactic PolystyreneEleonora Ricci, Niki Vergadou, Georgios G Vogiatzis, et al.Chempluschem|October 28, 2025
Machine Learning Approaches in Soft Matter Molecular Simulation and Materials Characterization: Challenges and PerspectivesNiki Vergadou, Vassilios ConstantoudisMembranes|August 11, 2019
Molecular Modeling Investigations of Sorption and Diffusion of Small Molecules in Glassy PolymersNiki Vergadou, Doros N TheodorouThe Journal of Chemical Physics|July 23, 2005
Coarse graining using pretabulated potentials: liquid benzeneNikolas Zacharopoulos, Niki Vergadou, Doros N TheodorouPhysical Chemistry Chemical Physics : PCCP|February 16, 2016
Molecular simulations of imidazolium-based tricyanomethanide ionic liquids using an optimized classical force fieldNiki Vergadou, Eleni Androulaki, Jörg-Rüdiger Hill, et al.Membranes|January 10, 2019
Modelling Mixed-Gas Sorption in Glassy Polymers for CO₂ Removal: A Sensitivity Analysis of the Dual Mode Sorption ModelEleonora Ricci, Maria Grazia De AngelisPolymers|April 13, 2023
Modelling across Multiple Scales to Design Biopolymer Membranes for Sustainable Gas Separations: 1-Atomistic ApproachKseniya Papchenko, Eleonora Ricci, Maria Grazia De AngelisPolymers|October 16, 2024
Modelling Across Multiple Scales to Design Biopolymer Membranes for Sustainable Gas Separations: 2-Multiscale ApproachKseniya Papchenko, Eleonora Ricci, Maria Grazia De AngelisMembranes|September 22, 2022
Modelling Sorption and Transport of Gases in Polymeric Membranes across Different Scales: A ReviewEleonora Ricci, Matteo Minelli, Maria Grazia De AngelisPageof 5