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The Journal of Physical Chemistry. B
|
March 8, 2023
Integrating Machine Learning in the Coarse-Grained Molecular Simulation of Polymers
Eleonora Ricci, Niki Vergadou
Chempluschem
|
October 28, 2025
Machine Learning Approaches in Soft Matter Molecular Simulation and Materials Characterization: Challenges and Perspectives
Niki Vergadou, Vassilios Constantoudis
Membranes
|
August 11, 2019
Molecular Modeling Investigations of Sorption and Diffusion of Small Molecules in Glassy Polymers
Niki Vergadou, Doros N Theodorou
The Journal of Chemical Physics
|
July 23, 2005
Coarse graining using pretabulated potentials: liquid benzene
Nikolas Zacharopoulos, Niki Vergadou, Doros N Theodorou
Physical Chemistry Chemical Physics : PCCP
|
February 16, 2016
Molecular simulations of imidazolium-based tricyanomethanide ionic liquids using an optimized classical force field
Niki Vergadou, Eleni Androulaki, Jörg-Rüdiger Hill, et al.
Macromolecules
|
April 8, 2021
Molecular Simulations and Mechanistic Analysis of the Effect of CO<sub>2</sub> Sorption on Thermodynamics, Structure, and Local Dynamics of Molten Atactic Polystyrene
Eleonora Ricci, Niki Vergadou, Georgios G Vogiatzis, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 6, 2016
Thermophysical properties of imidazolium tricyanomethanide ionic liquids: experiments and molecular simulation
Lawien F Zubeir, Marisa A A Rocha, Niki Vergadou, et al.
Journal of Molecular Graphics & Modelling
|
October 1, 2015
Elucidation of the binding mechanism of renin using a wide array of computational techniques and biological assays
Haralambos Tzoupis, Georgios Leonis, Aggelos Avramopoulos, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 8) with videos related to
Sort By:
Page
of 1
The Journal of Physical Chemistry. B
|
March 8, 2023
Integrating Machine Learning in the Coarse-Grained Molecular Simulation of Polymers
Eleonora Ricci, Niki Vergadou
Chempluschem
|
October 28, 2025
Machine Learning Approaches in Soft Matter Molecular Simulation and Materials Characterization: Challenges and Perspectives
Niki Vergadou, Vassilios Constantoudis
Membranes
|
August 11, 2019
Molecular Modeling Investigations of Sorption and Diffusion of Small Molecules in Glassy Polymers
Niki Vergadou, Doros N Theodorou
The Journal of Chemical Physics
|
July 23, 2005
Coarse graining using pretabulated potentials: liquid benzene
Nikolas Zacharopoulos, Niki Vergadou, Doros N Theodorou
Physical Chemistry Chemical Physics : PCCP
|
February 16, 2016
Molecular simulations of imidazolium-based tricyanomethanide ionic liquids using an optimized classical force field
Niki Vergadou, Eleni Androulaki, Jörg-Rüdiger Hill, et al.
Macromolecules
|
April 8, 2021
Molecular Simulations and Mechanistic Analysis of the Effect of CO<sub>2</sub> Sorption on Thermodynamics, Structure, and Local Dynamics of Molten Atactic Polystyrene
Eleonora Ricci, Niki Vergadou, Georgios G Vogiatzis, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 6, 2016
Thermophysical properties of imidazolium tricyanomethanide ionic liquids: experiments and molecular simulation
Lawien F Zubeir, Marisa A A Rocha, Niki Vergadou, et al.
Journal of Molecular Graphics & Modelling
|
October 1, 2015
Elucidation of the binding mechanism of renin using a wide array of computational techniques and biological assays
Haralambos Tzoupis, Georgios Leonis, Aggelos Avramopoulos, et al.
Page
of 1