Noelia Faginas Lago

EDBT 2026 Demo / reviewers in the wild / expert

dblp:62/3411 · also Maria Noelia Faginas Lago · DBLP profile ↗

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39ranked-venue papers

9as first author

6since 2021 · last 2025

0000-0002-4056-3364ORCID · verified

Domains — the database's venue-derived domains; a paper can count in several

Applied, interdisciplinary, general and emerging computing · 37 · 9 first-author · 6 since 2021Systems, architecture and hardware · 2

Year	Publication	Venue	Position
2025	STEAMigPOWER: Empowering Migrants Through Inclusive STEAM Education Introduction: Education as a Lifeline in the Migration Crisis Andrea Lombardi 0001, Sofia Barbosa Pereira, Anna Dalosi, Ozgur Erdur-Baker, Noelia Faginas Lago, Yannis Kontos, Luca Mancini, Catalina Jerez, Marzio Rosi, Nicolaos Theodossiou	ICCSA (3)	5
2021	Long-Range Complex in the HC3N + CN Potential Energy Surface: Ab Initio Calculations and Intermolecular Potential Emília Valença Ferreira de Aragão, Luca Mancini, Noelia Faginas Lago, Marzio Rosi, Nadia Balucani, Fernando Pirani	ICCSA (10)	3
2021	A Minimal Model of Potential Energy Surface for the CO2 - CO System Concetta Caglioti, Noelia Faginas Lago, Andrea Lombardi 0001, Federico Palazzetti	ICCSA (10)	2
2021	Intermolecular Forces for the Interaction of H2O-Graphtriyne Membrane: Contribution of Induction Effects Noelia Faginas Lago, Yusuf Bramastya Apriliyanto, Andrea Lombardi 0001	ICCSA (10)	1
2021	Classification of Biomolecules by Invariant Shape Coordinates and Deformation Indexes Andrea Lombardi 0001, Noelia Faginas Lago	ICCSA (10)	2
2021	A New Method for Binary Classification of Proteins with Machine Learning Damiano Perri, Marco Simonetti, Andrea Lombardi 0001, Noelia Faginas Lago, Osvaldo Gervasi	ICCSA (10)	4
2020	Gas Adsorption on Graphtriyne Membrane: Impact of the Induction Interaction Term on the Computational Cost Emília Valença Ferreira de Aragão, Noelia Faginas Lago, Yusuf Bramastya Apriliyanto, Andrea Lombardi 0001	ICCSA (7)	2
2020	A Computational Study of the Reaction Cyanoacetylene and Cyano Radical Leading to 2-Butynedinitrile and Hydrogen Radical Emília Valença Ferreira de Aragão, Noelia Faginas Lago, Marzio Rosi, Luca Mancini, Nadia Balucani, Dimitris Skouteris	ICCSA (3)	2
2020	Carbon Capture and Separation from CO2/N2/H2O Gaseous Mixtures in Bilayer Graphtriyne: A Molecular Dynamics Study Noelia Faginas Lago, Yusuf Bramastya Apriliyanto, Andrea Lombardi 0001	ICCSA (7)	1
2020	Classification of Shapes and Deformations of Large Systems by Invariant Coordinates Andrea Lombardi 0001, Noelia Faginas Lago	ICCSA (7)	2
2020	Binary Classification of Proteins by a Machine Learning Approach Damiano Perri, Marco Simonetti, Andrea Lombardi 0001, Noelia Faginas Lago, Osvaldo Gervasi	ICCSA (7)	4
2019	Molecular Simulations of CO _2 /N _2 /H _2 O Gaseous Mixture Separation in Graphtriyne Membrane Noelia Faginas Lago, Yusuf Bramastya Apriliyanto, Andrea Lombardi 0001	ICCSA (6)	1
2019	The Invariance Approach to Structure and Dynamics: Classical Hyperspherical Coordinates Andrea Lombardi 0001, Noelia Faginas Lago, Vincenzo Aquilanti	ICCSA (6)	2
2019	Electronic Structure and Kinetics Calculations for the Si+SH Reaction, a Possible Route of SiS Formation in Star-Forming Regions Marzio Rosi, Dimitris Skouteris, Nadia Balucani, Luca Mancini, Noelia Faginas Lago, Linda Podio, Claudio Codella, Bertrand Lefloch, Cecilia Ceccarelli	ICCSA (3)	5
2018	Potential Energy Surface for the Interaction of Helium with the Chiral Molecule Propylene Oxide Patrícia R. P. Barreto, Alessandra F. Albernaz, Vincenzo Aquilanti, Noelia Faginas Lago, Gaia Grossi, Andrea Lombardi 0001, Federico Palazzetti, Fernando Pirani	ICCSA (5)	4
2018	Confinement of the Pentanitrogen Cation Inside Carbon Nanotubes Stefano Battaglia, Stefano Evangelisti, Thierry Leininger, Noelia Faginas Lago	ICCSA (5)	4
2018	A Theoretical Investigation of the Reaction H+SiS2 and Implications for the Chemistry of Silicon in the Interstellar Medium Dimitris Skouteris, Marzio Rosi, Nadia Balucani, Luca Mancini, Noelia Faginas Lago, Linda Podio, Claudio Codella, Bertrand Lefloch, Cecilia Ceccarelli	ICCSA (2)	5
2018	Nitrogen Gas on Graphene: Pairwise Interaction Potentials abstract We investigate different types of potential parameters for the graphene-nitrogen interaction. Interaction energies calculated at DFT level are fitted with the semi-emperical Improved Lennard-Jones potential. Both a pseudo-atom potential and a full atomistic potential are considered. Furthermore, we consider the influence of the electrostatic part on the parameters using different charge schemes found in the literature as well as optimizing the charges ourselves. We have obtained parameters for both the nitrogen dimer and the graphene-nitrogen system. For the former, the four-charges Cracknell scheme reproduces with high precision the CCSD(T) interaction energy as well as the experimental diffusion coefficient in both the pseudo-atom and full atomstic potential. In the second case, the atom-atom model provides an average interaction energy of 2.3 kcal/mol, comparable with the experimental graphene- $$\text {N}_{\text {2}}$$ interaction of 2.4 kcal/mol. Jelle Vekeman, Noelia Faginas Lago, Inmaculada García Cuesta, José Sánchez-Marín, Alfredo M. J. Sánchez De Merás	ICCSA (5)	2
2017	Acetone-Water Mixtures: Molecular Dynamics Using a Semiempirical Intermolecular Potential Noelia Faginas Lago, Margarita Albertí, Andrea Lombardi 0001, Federico Palazzetti	ICCSA (3)	1
2016	A Theoretical and Computational Approach to a Semi-classical Model for Electron Spectroscopy Calculations in Collisional Autoionization Processes Stefano Falcinelli, Marzio Rosi, Fernando Pirani, Noelia Faginas Lago, Andrea Nicoziani, Franco Vecchiocattivi	ICCSA (1)	4
2016	Acetone Clusters Molecular Dynamics Using a Semiempirical Intermolecular Potential Noelia Faginas Lago, Margarita Albertí, Andrea Lombardi 0001	ICCSA (1)	1
2016	Collisional Energy Exchange in CO _2 -N _2 Gaseous Mixtures Andrea Lombardi 0001, Noelia Faginas Lago, Gaia Grossi, Federico Palazzetti, Vincenzo Aquilanti	ICCSA (1)	2
2016	Modeling Combustions: The ab initio Treatment of the O( ^3 P) + CH _3 OH Reaction Leonardo Pacifici, Francesco Talotta, Nadia Balucani, Noelia Faginas Lago, Antonio Laganà	ICCSA (1)	4
2016	A Theoretical Study on the Relevance of Protonated and Ionized Species of Methanimine and Methanol in Astrochemistry Marzio Rosi, Stefano Falcinelli, Nadia Balucani, Noelia Faginas Lago, Cecilia Ceccarelli, Dimitris Skouteris	ICCSA (1)	4
2015	Ion-Water Cluster Molecular Dynamics Using a Semiempirical Intermolecular Potential Noelia Faginas Lago, Margarita Albertí, Antonio Laganà, Andrea Lombardi 0001	ICCSA (2)	1
2015	A Theoretical Investigation of 1-Butanol Unimolecular Decomposition Leonardo Pacifici, Noelia Faginas Lago, Andrea Lombardi 0001, Nadia Balucani, Domenico Stranges, Stefano Falcinelli, Marzio Rosi	ICCSA (2)	2
2014	The Molecular Stirrer Catalytic Effect in Methane Ice Formation Noelia Faginas Lago, Margarita Albertí, Antonio Laganà, Andrea Lombardi 0001, Leonardo Pacifici, Alessandro Costantini	ICCSA (1)	1
2014	Grid Calculation Tools for Massive Applications of Collision Dynamics Simulations: Carbon Dioxide Energy Transfer Andrea Lombardi 0001, Noelia Faginas Lago, Antonio Laganà	ICCSA (1)	2
2013	Modeling the Intermolecular Interactions and Characterization of the Dynamics of Collisional Autoionization Processes Stefano Falcinelli, Marzio Rosi, Pietro Candori, Franco Vecchiocattivi, Alessio Bartocci, Andrea Lombardi 0001, Noelia Faginas Lago, Fernando Pirani	ICCSA (1)	7
2013	Water (H2O) m or Benzene (C6H6) n Aggregates to Solvate the K + ? Noelia Faginas Lago, Margarita Albertí, Antonio Laganà, Andrea Lombardi 0001	ICCSA (1)	1
2013	Carbon Oxides in Gas Flows and Earth and Planetary Atmospheres: State-to-State Simulations of Energy Transfer and Dissociation Reactions Andrea Lombardi 0001, Antonio Laganà, Fernando Pirani, Federico Palazzetti, Noelia Faginas Lago	ICCSA (2)	5
2012	A Bond-Bond Portable Approach to Intermolecular Interactions: Simulations for N-methylacetamide and Carbon Dioxide Dimers Andrea Lombardi 0001, Noelia Faginas Lago, Antonio Laganà, Fernando Pirani, Stefano Falcinelli	ICCSA (1)	2
2010	Distributed and Collaborative Learning Objects Repositories on Grid Networks Simonetta Pallottelli, Sergio Tasso, Nicola Pannacci, Alessandro Costantini, Noelia Faginas Lago	ICCSA (4)	5
2010	COMPCHEM: Progress Towards GEMS a Grid Empowered Molecular Simulator and Beyond Antonio Laganà, Alessandro Costantini, Osvaldo Gervasi, Noelia Faginas Lago, Carlo Manuali, Sergio Rampino	J. Grid Comput.	4
2009	A Grid Implementation of Direct Semiclassical Calculations of Rate Coefficients Alessandro Costantini, Noelia Faginas Lago, Antonio Laganà, Fermín Huarte-Larrañaga	ICCSA (2)	2
2009	A Grid Implementation of Direct Quantum Calculations of Rate Coefficients Alessandro Costantini, Noelia Faginas Lago, Antonio Laganà, Fermín Huarte-Larrañaga	ICCSA (2)	2
2006	A Simplified Myoglobin Model for Molecular Dynamics Calculations Federico Filomia, Noelia Faginas Lago	ICCSA (1)	2
2005	Thermal Rate Coefficients for the N+N2 Reaction: Quasiclassical, Semiclassical and Quantum Calculations Noelia Faginas Lago, Antonio Laganà, Ernesto Garcia, X. Gimenez	ICCSA (1)	1
2004	Foreword Antonio Laganà, Noelia Faginas Lago	Future Gener. Comput. Syst.	2