CLOSE

Schmidt, Patrick S., Kankanamge, Chathura J., Klose, Jörn, Jander, Julius H., Vergadou, Niki, Economou, Ioannis G., Klein, Tobias and Fröba, Andreas P., Fick Diffusion Coefficients of Polystyrene Oligomers with Dissolved Blowing Agents by Dynamic Light Scattering and Molecular Dynamics Simulations Macromolecules, Volume 58, Pages: 10238 – 10252, 2025 [doi]

Marzouk, Asma, Papavasileiou, Konstantinos D., Peristeras, Loukas D., Bezemer, G. Leendert, Van Bavel, Alexander P., Shenai, Prathamesh M. and Economou, Ioannis G., Multi-Scale Study of Cobalt Adsorption on TiO2 Anatase (101): From DFT to Force-Field Parameterization The Journal of Chemical Physics, Volume 163, Pages: 164306, 2025 [doi]

Vergadou, Niki and Constantoudis, Vassilios, Machine Learning Approaches in Soft Matter Molecular Simulation and Materials Characterization: Challenges and Perspectives ChemPlusChem, Volume 90, 2025 [doi]

Gerakinis, Dimitrios-Paraskevas, Ricci, Eleonora, Giannakopoulos, George, Karkaletsis, Vangelis, Theodorou, Doros N. and Vergadou, Niki, Molecular Simulation of Coarse-grained Systems using Machine Learning ACM International Conference Proceeding Series, Volume 43, Pages: 1 - 6, 2024 [doi]

Dellis, Spilios, Ricci, Eleonora, Gerakinis, Dimitrios-Paraskevas, Vergadou, Niki and Giannakopoulos, George, Self-Adaptive Optimization of Coefficients in Multi-Objective Loss Functions ACM International Conference Proceeding Series, Volume 46, Pages: 1 - 9, 2024 [doi]

Nikolakopoulos, Athanassios, Steriotis, Theodore, Charalambopoulou, Georgia, Karagiannakis, George, Dimitrakis, Dimitrios, Michalis, Vasileios and Katsiotis, Marios, Reducing carbon emissions in cement production through solarization of the calcination process and thermochemical energy storage Computers and Chemical Engineering, Volume 180, 2024 [doi]

Ricci, Eleonora and Vergadou, Niki, Integrating Machine Learning in the Coarse-Grained Molecular Simulation of Polymers Journal of Physical Chemistry B, Volume 127, Pages: 2302 – 2322, 2023 [doi]

Diamataris, Ioannis G., Peristeras, Loukas D., Papavasileiou, Konstantinos D., Melissas, Vasilios S. and Boulougouris, Georgios C., Statistical Inference of Rate Constants in Chemical and Biochemical Reaction Networks Using an "Inverse" Event-Driven Kinetic Monte Carlo Method The Journal of Physical Chemistry B, Volume 127, Pages: 9132–9143, 2023 [doi]

Dawass, Noura, Vasileiadis, Manolis, Peristeras, Loukas D., Papavasileiou, Konstantinos D. and Economou, Ioannis G., Prediction of Adsorption and Diffusion of Shale Gas in Composite Pores Consisting of Kaolinite and Kerogen Using Molecular Simulation The Journal of Physical Chemistry C, Volume 127, Pages: 9452–9462, 2023 [doi]

Nikolakopoulos, Athanassios, Steriotis, Theodore, Charalambopoulou, Georgia, Karagiannakis, George, Dimitrakis, Dimitrios, Konstandopoulos, Athanasios G., Michalis, Vasileios and Katsiotis, Marios, Solar-Aided Limestone Calcination in Tandem With Thermochemical Energy Storage and CO2 Capture Volume 2815, 2023 [doi]

LOAD MORE

Disclaimer: Publications of the group count all publications involving group members, 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 group has no claims over publications involving non-INN affiliations.

Skip to content