RESEARCH INTERESTS

Visiting PhD student / Postdoctoral Researcher

ABOUT/BIOGRAPHY

Eleonora Ricci obtained a BSc (2014) and a MSc (2016) in Chemical Engineering from the University of Bologna, Italy, and earned a PhD in 2020 from the same university, with a dissertation on ‘Thermodynamic and Molecular Simulation of Pure and Mixed Gas Sorption in Polymeric Membranes’. During her PhD, she held a several-month visiting PhD student appointment at the Molecular Thermodynamics and Modeling of Materials Laboratory under the supervision of Dr. N. Vergadou. In 2021 she was a postdoctoral researcher and adjunct professor at the university of Bologna. During the period 2021-2023, she was a Marie Curie Post-Doctoral Research Fellow at NCSR Demokritos, working on the ML-MULTIMEM project, a multidisciplinary endeavour that aimed at applying machine learning techniques in molecular simulations of materials. The project was a synergy between the Molecular Thermodynamics and Modelling of Materials Laboratory (Dr. N. Vergadou) of the Institute of Nanoscience and Nanotechnology (INN) and the Software and Knowledge Engineering Lab (Dr. V. Karkaletsis, Dr. G. Giannakopoulos) of the Institute of Informatics & Telecommunications (IIT) of NCSR “Demokritos”. 

PUBLICATIONS

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]

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]

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]

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