Noelia Faginas Lago

71 papers Misc 1Journal 6Unranked 53
YearRankTypeTitle / Venue / Authors
2025 — conf
Accurate Force Field for Dimer Interactions: From Acetone to Dimethylsulfoxide.
ICCSA (Workshops 12)
Luca Mancini, Andrea Lombardi, Fernando Pirani, Leonardo Pacifici, Marzio Rosi, Noelia Faginas Lago
2025 — conf
Comparative Evaluation of Molecular Representation Models for Simulation of Methane Adsorption on Graphtriyne Sheet.
ICCSA (Workshops 12)
Noelia Faginas Lago, Yusuf Bramastya Apriliyanto, Luca Mancini, Andrea Lombardi
2025 — conf
Computational Insights into Perovskite Materials: Classical Molecular Dynamics and Ab Initio Approaches.
ICCSA (Workshops 12)
Noelia Faginas Lago, Luca Mancini, Andrea Lombardi, Fernando Pirani, Amanda Covarelli, Bernardino Tirri, Filippo De Angelis
2025 — conf
On the Mechanism Responsible of the Varying Adsorption Affinities of CO
ICCSA (Workshops 12)
Yusuf Bramastya Apriliyanto, Luca Mancini, Noelia Faginas Lago, Marcos Mandado
2025 — conf
STEAMigPOWER: Empowering Migrants Through Inclusive STEAM Education Introduction: Education as a Lifeline in the Migration Crisis.
ICCSA (3)
Andrea Lombardi, Sofia Barbosa Pereira, Anna Dalosi, Ozgur Erdur-Baker, Noelia Faginas Lago, Yannis Kontos, Luca Mancini, Catalina Jerez, Marzio Rosi, Nicolaos Theodossiou
2024 — conf
A Computational Analysis of the DMSO-Water Interaction: Toward the Implementation of an Accurate Force Field.
ICCSA (Workshops 9)
Luca Mancini, Andrea Lombardi, Fernando Pirani, Leonardo Pacifici, Marzio Rosi, Noelia Faginas Lago
2024 — ed.
Computational Science and Its Applications - ICCSA 2024 - 24th International Conference, Hanoi, Vietnam, July 1-4, 2024, Proceedings, Part I
ICCSA (1)
Osvaldo Gervasi, Beniamino Murgante, Chiara Garau, David Taniar, Ana Maria A. C. Rocha, Noelia Faginas Lago
2024 — ed.
Computational Science and Its Applications - ICCSA 2024 - 24th International Conference, Hanoi, Vietnam, July 1-4, 2024, Proceedings, Part II
ICCSA (2)
Osvaldo Gervasi, Beniamino Murgante, Chiara Garau, David Taniar, Ana Maria A. C. Rocha, Noelia Faginas Lago
2024 — ed.
Computational Science and Its Applications - ICCSA 2024 Workshops - Hanoi, Vietnam, July 1-4, 2024, Proceedings, Part I
ICCSA (Workshops 1)
Osvaldo Gervasi, Beniamino Murgante, Chiara Garau, David Taniar, Ana Maria A. C. Rocha, Noelia Faginas Lago
2024 — ed.
Computational Science and Its Applications - ICCSA 2024 Workshops - Hanoi, Vietnam, July 1-4, 2024, Proceedings, Part II
ICCSA (Workshops 2)
Osvaldo Gervasi, Beniamino Murgante, Chiara Garau, David Taniar, Ana Maria A. C. Rocha, Noelia Faginas Lago
2024 — ed.
Computational Science and Its Applications - ICCSA 2024 Workshops - Hanoi, Vietnam, July 1-4, 2024, Proceedings, Part III
ICCSA (Workshops 3)
Osvaldo Gervasi, Beniamino Murgante, Chiara Garau, David Taniar, Ana Maria A. C. Rocha, Noelia Faginas Lago
2024 — ed.
Computational Science and Its Applications - ICCSA 2024 Workshops - Hanoi, Vietnam, July 1-4, 2024, Proceedings, Part IX
ICCSA (Workshops 9)
Osvaldo Gervasi, Beniamino Murgante, Chiara Garau, David Taniar, Ana Maria A. C. Rocha, Noelia Faginas Lago
2024 — ed.
Computational Science and Its Applications - ICCSA 2024 Workshops - Hanoi, Vietnam, July 1-4, 2024, Proceedings, Part V
ICCSA (Workshops 5)
Osvaldo Gervasi, Beniamino Murgante, Chiara Garau, David Taniar, Ana Maria A. C. Rocha, Noelia Faginas Lago
2024 — ed.
Computational Science and Its Applications - ICCSA 2024 Workshops - Hanoi, Vietnam, July 1-4, 2024, Proceedings, Part VI
ICCSA (Workshops 6)
Osvaldo Gervasi, Beniamino Murgante, Chiara Garau, David Taniar, Ana Maria A. C. Rocha, Noelia Faginas Lago
2024 — ed.
Computational Science and Its Applications - ICCSA 2024 Workshops - Hanoi, Vietnam, July 1-4, 2024, Proceedings, Part VIII
ICCSA (Workshops 8)
Osvaldo Gervasi, Beniamino Murgante, Chiara Garau, David Taniar, Ana Maria A. C. Rocha, Noelia Faginas Lago
2024 — ed.
Computational Science and Its Applications - ICCSA 2024 Workshops - Hanoi, Vietnam, July 1-4, 2024, Proceedings, Part X
ICCSA (Workshops 10)
Osvaldo Gervasi, Beniamino Murgante, Chiara Garau, David Taniar, Ana Maria A. C. Rocha, Noelia Faginas Lago
2024 — ed.
Computational Science and Its Applications - ICCSA 2024 Workshops - Hanoi, Vietnam, July 1-4, 2024, Proceedings, Part XI
ICCSA (Workshops 11)
Osvaldo Gervasi, Beniamino Murgante, Chiara Garau, David Taniar, Ana Maria A. C. Rocha, Noelia Faginas Lago
2024 — conf
Insights into Ion Conduction Mechanisms Through the ORF3a Channel by Computational Modelling.
ICCSA (Workshops 9)
Nuria Anguita-Ortiz, Andrea Lombardi, Noelia Faginas Lago, Juan J. Nogueira
2024 — conf
The rmHe
ICCSA (4)
Luca Mancini, Emília Valença Ferreira de Aragão, Fernando Pirani, Marzio Rosi, Noelia Faginas Lago, Daniela Ascenzi
2023 — conf
A Computational Study of the Reaction Between N(
ICCSA (Workshops 2)
Marzio Rosi, Nadia Balucani, Piergiorgio Casavecchia, Noelia Faginas Lago, Luca Mancini, Dimitrios Skouteris, Gianmarco Vanuzzo
2023 — conf
Coding Cross Sections of an Electron Charge Transfer Process: Analysis of Different Cuts for the Entrance and Exit Potentials.
ICCSA (Workshops 8)
Noelia Faginas Lago, Emília Valença Ferreira de Aragão, Luca Mancini, Marzio Rosi, Daniela Ascenzi, Fernando Pirani
2023 — conf
Protein Tetrahedral Networks by Invariant Shape Coordinates.
ICCSA (Workshops 8)
Andrea Lombardi, Noelia Faginas Lago, Leonardo Pacifici
2022 — conf
A Theoretical Study on trans-Resveratrol - Cu(I) Complex.
ICCSA (Workshops 6)
Concetta Caglioti, Antonella De Luca, Chiara Pennetta, Lorenzo Monarca, Francesco Ragonese, Paola Sabbatini, Noelia Faginas Lago, Andrea Lombardi, Federico Palazzetti, Bernard Fioretti
2022 — conf
Coding Cross Sections of an Electron Charge Transfer Process.
ICCSA (Workshops 6)
Emília Valença Ferreira de Aragão, Luca Mancini, Xiao He, Noelia Faginas Lago, Marzio Rosi, Daniela Ascenzi, Fernando Pirani
2022 — conf
Confinement of CO
ICCSA (Workshops 6)
Noelia Faginas Lago, Andrea Lombardi, Yusuf Bramastya Apriliyanto, Leonardo Pacifici
2022 — conf
Protein Networks by Invariant Shape Coordinates and Deformation Indexes.
ICCSA (Workshops 6)
Andrea Lombardi, Noelia Faginas Lago, Leonardo Pacifici
2022 — conf
The Assembly of a Computing Platform for Studying Protein Inhibitors Against COVID-19 Replication.
ICCSA (Workshops 6)
Leonardo Pacifici, Ribi Akbar, Andrea Lombardi, Giuseppe Vitillaro, Noelia Faginas Lago
2021 — conf
A Minimal Model of Potential Energy Surface for the CO
ICCSA (10)
Concetta Caglioti, Noelia Faginas Lago, Andrea Lombardi, Federico Palazzetti
2021 — conf
A New Method for Binary Classification of Proteins with Machine Learning.
ICCSA (10)
Damiano Perri, Marco Simonetti, Andrea Lombardi, Noelia Faginas Lago, Osvaldo Gervasi
2021 J jnl
A new method for binary classification of proteins with Machine Learning.
CoRR
Damiano Perri, Marco Simonetti, Andrea Lombardi, Noelia Faginas Lago, Osvaldo Gervasi
2021 J jnl
Binary classification of proteins by a Machine Learning approach.
CoRR
Damiano Perri, Marco Simonetti, Andrea Lombardi, Noelia Faginas Lago, Osvaldo Gervasi
2021 — conf
Classification of Biomolecules by Invariant Shape Coordinates and Deformation Indexes.
ICCSA (10)
Andrea Lombardi, Noelia Faginas Lago
2021 — conf
Intermolecular Forces for the Interaction of H
ICCSA (10)
Noelia Faginas Lago, Yusuf Bramastya Apriliyanto, Andrea Lombardi
2021 — conf
Long-Range Complex in the HC
ICCSA (10)
Emília Valença Ferreira de Aragão, Luca Mancini, Noelia Faginas Lago, Marzio Rosi, Nadia Balucani, Fernando Pirani
2020 — conf
A Computational Study of the Reaction Cyanoacetylene and Cyano Radical Leading to 2-Butynedinitrile and Hydrogen Radical.
ICCSA (3)
Emília Valença Ferreira de Aragão, Noelia Faginas Lago, Marzio Rosi, Luca Mancini, Nadia Balucani, Dimitrios Skouteris
2020 — conf
Binary Classification of Proteins by a Machine Learning Approach.
ICCSA (7)
Damiano Perri, Marco Simonetti, Andrea Lombardi, Noelia Faginas Lago, Osvaldo Gervasi
2020 — conf
Carbon Capture and Separation from CO
ICCSA (7)
Noelia Faginas Lago, Yusuf Bramastya Apriliyanto, Andrea Lombardi
2020 — conf
Classification of Shapes and Deformations of Large Systems by Invariant Coordinates.
ICCSA (7)
Andrea Lombardi, Noelia Faginas Lago
2020 — conf
Gas Adsorption on Graphtriyne Membrane: Impact of the Induction Interaction Term on the Computational Cost.
ICCSA (7)
Emília Valença Ferreira de Aragão, Noelia Faginas Lago, Yusuf Bramastya Apriliyanto, Andrea Lombardi
2019 — conf
Electronic Structure and Kinetics Calculations for the Si+SH Reaction, a Possible Route of SiS Formation in Star-Forming Regions.
ICCSA (3)
Marzio Rosi, Dimitrios Skouteris, Nadia Balucani, Luca Mancini, Noelia Faginas Lago, Linda Podio, Claudio Codella, Bertrand Lefloch, Cecilia Ceccarelli
2019 — conf
Molecular Simulations of CO _2 /N _2 /H _2 O Gaseous Mixture Separation in Graphtriyne Membrane.
ICCSA (6)
Noelia Faginas Lago, Yusuf Bramastya Apriliyanto, Andrea Lombardi
2019 — conf
The Invariance Approach to Structure and Dynamics: Classical Hyperspherical Coordinates.
ICCSA (6)
Andrea Lombardi, Noelia Faginas Lago, Vincenzo Aquilanti
2018 — conf
A Theoretical Investigation of the Reaction H+SiS2 and Implications for the Chemistry of Silicon in the Interstellar Medium.
ICCSA (2)
Dimitrios Skouteris, Marzio Rosi, Nadia Balucani, Luca Mancini, Noelia Faginas Lago, Linda Podio, Claudio Codella, Bertrand Lefloch, Cecilia Ceccarelli
2018 — conf
Confinement of the Pentanitrogen Cation Inside Carbon Nanotubes.
ICCSA (5)
Stefano Battaglia, Stefano Evangelisti, Thierry Leininger, Noelia Faginas Lago
2018 — conf
Nitrogen Gas on Graphene: Pairwise Interaction Potentials.
ICCSA (5)
Jelle Vekeman, Noelia Faginas Lago, Inmaculada García Cuesta, José Sánchez-Marín, Alfredo M. J. Sánchez De Merás
2018 — conf
Potential Energy Surface for the Interaction of Helium with the Chiral Molecule Propylene Oxide.
ICCSA (5)
Patrícia R. P. Barreto, Alessandra F. Albernaz, Vincenzo Aquilanti, Noelia Faginas Lago, Gaia Grossi, Andrea Lombardi, Federico Palazzetti, Fernando Pirani
2017 — conf
Acetone-Water Mixtures: Molecular Dynamics Using a Semiempirical Intermolecular Potential.
ICCSA (3)
Noelia Faginas Lago, Margarita Albertí, Andrea Lombardi, Federico Palazzetti
2016 — conf
A Theoretical Study on the Relevance of Protonated and Ionized Species of Methanimine and Methanol in Astrochemistry.
ICCSA (1)
Marzio Rosi, Stefano Falcinelli, Nadia Balucani, Noelia Faginas Lago, Cecilia Ceccarelli, Dimitrios Skouteris
2016 — conf
A Theoretical and Computational Approach to a Semi-classical Model for Electron Spectroscopy Calculations in Collisional Autoionization Processes.
ICCSA (1)
Stefano Falcinelli, Marzio Rosi, Fernando Pirani, Noelia Faginas Lago, Andrea Nicoziani, Franco Vecchiocattivi
2016 — conf
Acetone Clusters Molecular Dynamics Using a Semiempirical Intermolecular Potential.
ICCSA (1)
Noelia Faginas Lago, Margarita Albertí, Andrea Lombardi
2016 — conf
Collisional Energy Exchange in CO _2 -N _2 Gaseous Mixtures.
ICCSA (1)
Andrea Lombardi, Noelia Faginas Lago, Gaia Grossi, Federico Palazzetti, Vincenzo Aquilanti
2016 — conf
Modeling Combustions: The ab initio Treatment of the O( ^3 P) + CH _3 OH Reaction.
ICCSA (1)
Leonardo Pacifici, Francesco Talotta, Nadia Balucani, Noelia Faginas Lago, Antonio Laganà
2015 — conf
A Theoretical Investigation of 1-Butanol Unimolecular Decomposition.
ICCSA (2)
Leonardo Pacifici, Noelia Faginas Lago, Andrea Lombardi, Nadia Balucani, Domenico Stranges, Stefano Falcinelli, Marzio Rosi
2015 — conf
Ion-Water Cluster Molecular Dynamics Using a Semiempirical Intermolecular Potential.
ICCSA (2)
Noelia Faginas Lago, Margarita Albertí, Antonio Laganà, Andrea Lombardi
2014 — conf
Grid Calculation Tools for Massive Applications of Collision Dynamics Simulations: Carbon Dioxide Energy Transfer.
ICCSA (1)
Andrea Lombardi, Noelia Faginas Lago, Antonio Laganà
2014 — conf
The Molecular Stirrer Catalytic Effect in Methane Ice Formation.
ICCSA (1)
Noelia Faginas Lago, Margarita Albertí, Antonio Laganà, Andrea Lombardi, Leonardo Pacifici, Alessandro Costantini
2013 J jnl
A high-level
J. Comput. Chem.
Leonardo Pacifici, Marco Verdicchio, Noelia Faginas Lago, Andrea Lombardi, Alessandro Costantini
2013 — conf
Carbon Oxides in Gas Flows and Earth and Planetary Atmospheres: State-to-State Simulations of Energy Transfer and Dissociation Reactions.
ICCSA (2)
Andrea Lombardi, Antonio Laganà, Fernando Pirani, Federico Palazzetti, Noelia Faginas Lago
2013 — conf
Modeling the Intermolecular Interactions and Characterization of the Dynamics of Collisional Autoionization Processes.
ICCSA (1)
Stefano Falcinelli, Marzio Rosi, Pietro Candori, Franco Vecchiocattivi, Alessio Bartocci, Andrea Lombardi, Noelia Faginas Lago, Fernando Pirani
2013 — conf
Water (H2O) m or Benzene (C6H6) n Aggregates to Solvate the K + ?
ICCSA (1)
Noelia Faginas Lago, Margarita Albertí, Antonio Laganà, Andrea Lombardi
2012 — conf
A Bond-Bond Portable Approach to Intermolecular Interactions: Simulations for N-methylacetamide and Carbon Dioxide Dimers.
ICCSA (1)
Andrea Lombardi, Noelia Faginas Lago, Antonio Laganà, Fernando Pirani, Stefano Falcinelli
2012 J jnl
An extension of the grid empowered molecular simulator to quantum reactive scattering.
J. Comput. Chem.
Sergio Rampino, Noelia Faginas Lago, Antonio Laganà, Fermín Huarte-Larrañaga
2010 J jnl
COMPCHEM: Progress Towards GEMS a Grid Empowered Molecular Simulator and Beyond.
J. Grid Comput.
Antonio Laganà, Alessandro Costantini, Osvaldo Gervasi, Noelia Faginas Lago, Carlo Manuali, Sergio Rampino
2010 — conf
Distributed and Collaborative Learning Objects Repositories on Grid Networks.
ICCSA (4)
Simonetta Pallottelli, Sergio Tasso, Nicola Pannacci, Alessandro Costantini, Noelia Faginas Lago
2009 — conf
A Grid Implementation of Direct Quantum Calculations of Rate Coefficients.
ICCSA (2)
Alessandro Costantini, Noelia Faginas Lago, Antonio Laganà, Fermín Huarte-Larrañaga
2009 — conf
A Grid Implementation of Direct Semiclassical Calculations of Rate Coefficients.
ICCSA (2)
Alessandro Costantini, Noelia Faginas Lago, Antonio Laganà, Fermín Huarte-Larrañaga
2007 — conf
Quantum vs Semiclassical Dynamics Approaches from highly symmetric to asymmetric reactions.
ICCSA Workshops
Noelia Faginas Lago, Antonio Laganà, Fermín Huarte-Larrañaga
2006 — conf
A Simplified Myoglobin Model for Molecular Dynamics Calculations.
ICCSA (1)
Federico Filomia, Noelia Faginas Lago
2005 — conf
Thermal Rate Coefficients for the N+N
ICCSA (1)
Noelia Faginas Lago, Antonio Laganà, Ernesto Garcia, X. Gimenez
2004 J jnl
Foreword.
Future Gener. Comput. Syst.
Antonio Laganà, Noelia Faginas Lago
2003 Misc conf
Initial Value Semiclassical Approaches to Reactive and Non Reactive Transition Probabilities.
International Conference on Computational Science
Noelia Faginas Lago, Antonio Laganà