Noelia Faginas Lago

Publication Activity (10 Years)

Years Active: 2003-2024
Publications (10 Years): 38

Top Topics

Theoretical Investigation

Molecular Dynamics

Machine Learning

Top Venues

ICCSA (Workshops 6)

Publications

Nuria Anguita-Ortiz, Andrea Lombardi, Noelia Faginas Lago, Juan J. Nogueira
Insights into Ion Conduction Mechanisms Through the ORF3a Channel by Computational Modelling. ICCSA (Workshops 9) (2024)
Luca Mancini, Emília Valença Ferreira de Aragão, Fernando Pirani, Marzio Rosi, Noelia Faginas Lago, Daniela Ascenzi
Charge-Exchange Reaction: A Combined Semi-empirical and Quantum Chemical Study. ICCSA (4) (2024)
Luca Mancini, Andrea Lombardi, Fernando Pirani, Leonardo Pacifici, Marzio Rosi, Noelia Faginas Lago
A Computational Analysis of the DMSO-Water Interaction: Toward the Implementation of an Accurate Force Field. ICCSA (Workshops 9) (2024)
Andrea Lombardi, Noelia Faginas Lago, Leonardo Pacifici
Protein Tetrahedral Networks by Invariant Shape Coordinates. ICCSA (Workshops 8) (2023)
Marzio Rosi, Nadia Balucani, Piergiorgio Casavecchia, Noelia Faginas Lago, Luca Mancini, Dimitrios Skouteris, Gianmarco Vanuzzo
D) and Simple Aromatic Hydrocarbons. ICCSA (Workshops 2) (2023)
Noelia Faginas Lago, Emília Valença Ferreira de Aragão, Luca Mancini, Marzio Rosi, Daniela Ascenzi, Fernando Pirani
Coding Cross Sections of an Electron Charge Transfer Process: Analysis of Different Cuts for the Entrance and Exit Potentials. ICCSA (Workshops 8) (2023)
Leonardo Pacifici, Ribi Akbar, Andrea Lombardi, Giuseppe Vitillaro, Noelia Faginas Lago
The Assembly of a Computing Platform for Studying Protein Inhibitors Against COVID-19 Replication. ICCSA (Workshops 6) (2022)
Andrea Lombardi, Noelia Faginas Lago, Leonardo Pacifici
Protein Networks by Invariant Shape Coordinates and Deformation Indexes. ICCSA (Workshops 6) (2022)
Emília Valença Ferreira de Aragão, Luca Mancini, Xiao He, Noelia Faginas Lago, Marzio Rosi, Daniela Ascenzi, Fernando Pirani
Coding Cross Sections of an Electron Charge Transfer Process. ICCSA (Workshops 6) (2022)
Concetta Caglioti, Antonella De Luca, Chiara Pennetta, Lorenzo Monarca, Francesco Ragonese, Paola Sabbatini, Noelia Faginas Lago, Andrea Lombardi, Federico Palazzetti, Bernard Fioretti
A Theoretical Study on trans-Resveratrol - Cu(I) Complex. ICCSA (Workshops 6) (2022)
Noelia Faginas Lago, Andrea Lombardi, Yusuf Bramastya Apriliyanto, Leonardo Pacifici
Inside (20, 0) Single-Walled Carbon Nanotubes. ICCSA (Workshops 6) (2022)
Damiano Perri, Marco Simonetti, Andrea Lombardi, Noelia Faginas Lago, Osvaldo Gervasi
A New Method for Binary Classification of Proteins with Machine Learning. ICCSA (10) (2021)
Concetta Caglioti, Noelia Faginas Lago, Andrea Lombardi, Federico Palazzetti
- CO System. ICCSA (10) (2021)
Andrea Lombardi, Noelia Faginas Lago
Classification of Biomolecules by Invariant Shape Coordinates and Deformation Indexes. ICCSA (10) (2021)
Damiano Perri, Marco Simonetti, Andrea Lombardi, Noelia Faginas Lago, Osvaldo Gervasi
Binary classification of proteins by a Machine Learning approach. CoRR (2021)
Noelia Faginas Lago, Yusuf Bramastya Apriliyanto, Andrea Lombardi
O-Graphtriyne Membrane: Contribution of Induction Effects. ICCSA (10) (2021)
Damiano Perri, Marco Simonetti, Andrea Lombardi, Noelia Faginas Lago, Osvaldo Gervasi
A new method for binary classification of proteins with Machine Learning. CoRR (2021)
Emília Valença Ferreira de Aragão, Luca Mancini, Noelia Faginas Lago, Marzio Rosi, Nadia Balucani, Fernando Pirani
N + CN Potential Energy Surface: Ab Initio Calculations and Intermolecular Potential. ICCSA (10) (2021)
Emília Valença Ferreira de Aragão, Noelia Faginas Lago, Yusuf Bramastya Apriliyanto, Andrea Lombardi
Gas Adsorption on Graphtriyne Membrane: Impact of the Induction Interaction Term on the Computational Cost. ICCSA (7) (2020)
Noelia Faginas Lago, Yusuf Bramastya Apriliyanto, Andrea Lombardi
O Gaseous Mixtures in Bilayer Graphtriyne: A Molecular Dynamics Study. ICCSA (7) (2020)
Damiano Perri, Marco Simonetti, Andrea Lombardi, Noelia Faginas Lago, Osvaldo Gervasi
Binary Classification of Proteins by a Machine Learning Approach. ICCSA (7) (2020)
Andrea Lombardi, Noelia Faginas Lago
Classification of Shapes and Deformations of Large Systems by Invariant Coordinates. ICCSA (7) (2020)
Emília Valença Ferreira de Aragão, Noelia Faginas Lago, Marzio Rosi, Luca Mancini, Nadia Balucani, Dimitrios Skouteris
A Computational Study of the Reaction Cyanoacetylene and Cyano Radical Leading to 2-Butynedinitrile and Hydrogen Radical. ICCSA (3) (2020)
Noelia Faginas Lago, Yusuf Bramastya Apriliyanto, Andrea Lombardi
Molecular Simulations of CO _2 /N _2 /H _2 O Gaseous Mixture Separation in Graphtriyne Membrane. ICCSA (6) (2019)
Marzio Rosi, Dimitrios Skouteris, Nadia Balucani, Luca Mancini, Noelia Faginas Lago, Linda Podio, Claudio Codella, Bertrand Lefloch, Cecilia Ceccarelli
Electronic Structure and Kinetics Calculations for the Si+SH Reaction, a Possible Route of SiS Formation in Star-Forming Regions. ICCSA (3) (2019)
Andrea Lombardi, Noelia Faginas Lago, Vincenzo Aquilanti
The Invariance Approach to Structure and Dynamics: Classical Hyperspherical Coordinates. ICCSA (6) (2019)
Jelle Vekeman, Noelia Faginas Lago, Inmaculada García Cuesta, José Sánchez-Marín, Alfredo M. J. Sánchez De Merás
Nitrogen Gas on Graphene: Pairwise Interaction Potentials. ICCSA (5) (2018)
Patrícia R. P. Barreto, Alessandra F. Albernaz, Vincenzo Aquilanti, Noelia Faginas Lago, Gaia Grossi, Andrea Lombardi, Federico Palazzetti, Fernando Pirani
Potential Energy Surface for the Interaction of Helium with the Chiral Molecule Propylene Oxide. ICCSA (5) (2018)
Dimitrios Skouteris, Marzio Rosi, Nadia Balucani, Luca Mancini, Noelia Faginas Lago, Linda Podio, Claudio Codella, Bertrand Lefloch, Cecilia Ceccarelli
A Theoretical Investigation of the Reaction H+SiS2 and Implications for the Chemistry of Silicon in the Interstellar Medium. ICCSA (2) (2018)
Stefano Battaglia, Stefano Evangelisti, Thierry Leininger, Noelia Faginas Lago
Confinement of the Pentanitrogen Cation Inside Carbon Nanotubes. ICCSA (5) (2018)
Noelia Faginas Lago, Margarita Albertí, Andrea Lombardi, Federico Palazzetti
Acetone-Water Mixtures: Molecular Dynamics Using a Semiempirical Intermolecular Potential. ICCSA (3) (2017)
Leonardo Pacifici, Francesco Talotta, Nadia Balucani, Noelia Faginas Lago, Antonio Laganà
Modeling Combustions: The ab initio Treatment of the O( ^3 P) + CH _3 OH Reaction. ICCSA (1) (2016)
Marzio Rosi, Stefano Falcinelli, Nadia Balucani, Noelia Faginas Lago, Cecilia Ceccarelli, Dimitrios Skouteris
A Theoretical Study on the Relevance of Protonated and Ionized Species of Methanimine and Methanol in Astrochemistry. ICCSA (1) (2016)
Noelia Faginas Lago, Margarita Albertí, Andrea Lombardi
Acetone Clusters Molecular Dynamics Using a Semiempirical Intermolecular Potential. ICCSA (1) (2016)
Stefano Falcinelli, Marzio Rosi, Fernando Pirani, Noelia Faginas Lago, Andrea Nicoziani, Franco Vecchiocattivi
A Theoretical and Computational Approach to a Semi-classical Model for Electron Spectroscopy Calculations in Collisional Autoionization Processes. ICCSA (1) (2016)
Andrea Lombardi, Noelia Faginas Lago, Gaia Grossi, Federico Palazzetti, Vincenzo Aquilanti
Collisional Energy Exchange in CO _2 -N _2 Gaseous Mixtures. ICCSA (1) (2016)
Leonardo Pacifici, Noelia Faginas Lago, Andrea Lombardi, Nadia Balucani, Domenico Stranges, Stefano Falcinelli, Marzio Rosi
A Theoretical Investigation of 1-Butanol Unimolecular Decomposition. ICCSA (2) (2015)
Noelia Faginas Lago, Margarita Albertí, Antonio Laganà, Andrea Lombardi
Ion-Water Cluster Molecular Dynamics Using a Semiempirical Intermolecular Potential. ICCSA (2) (2015)
Andrea Lombardi, Noelia Faginas Lago, Antonio Laganà
Grid Calculation Tools for Massive Applications of Collision Dynamics Simulations: Carbon Dioxide Energy Transfer. ICCSA (1) (2014)
Noelia Faginas Lago, Margarita Albertí, Antonio Laganà, Andrea Lombardi, Leonardo Pacifici, Alessandro Costantini
The Molecular Stirrer Catalytic Effect in Methane Ice Formation. ICCSA (1) (2014)
Noelia Faginas Lago, Margarita Albertí, Antonio Laganà, Andrea Lombardi
Water (H2O) m or Benzene (C6H6) n Aggregates to Solvate the K + ? ICCSA (1) (2013)
Leonardo Pacifici, Marco Verdicchio, Noelia Faginas Lago, Andrea Lombardi, Alessandro Costantini
reaction channel. J. Comput. Chem. 34 (31) (2013)
Andrea Lombardi, Antonio Laganà, Fernando Pirani, Federico Palazzetti, Noelia Faginas Lago
Carbon Oxides in Gas Flows and Earth and Planetary Atmospheres: State-to-State Simulations of Energy Transfer and Dissociation Reactions. ICCSA (2) (2013)
Stefano Falcinelli, Marzio Rosi, Pietro Candori, Franco Vecchiocattivi, Alessio Bartocci, Andrea Lombardi, Noelia Faginas Lago, Fernando Pirani
Modeling the Intermolecular Interactions and Characterization of the Dynamics of Collisional Autoionization Processes. ICCSA (1) (2013)
Andrea Lombardi, Noelia Faginas Lago, Antonio Laganà, Fernando Pirani, Stefano Falcinelli
A Bond-Bond Portable Approach to Intermolecular Interactions: Simulations for N-methylacetamide and Carbon Dioxide Dimers. ICCSA (1) (2012)
Sergio Rampino, Noelia Faginas Lago, Antonio Laganà, Fermín Huarte-Larrañaga
An extension of the grid empowered molecular simulator to quantum reactive scattering. J. Comput. Chem. 33 (6) (2012)
Antonio Laganà, Alessandro Costantini, Osvaldo Gervasi, Noelia Faginas Lago, Carlo Manuali, Sergio Rampino
COMPCHEM: Progress Towards GEMS a Grid Empowered Molecular Simulator and Beyond. J. Grid Comput. 8 (4) (2010)
Simonetta Pallottelli, Sergio Tasso, Nicola Pannacci, Alessandro Costantini, Noelia Faginas Lago
Distributed and Collaborative Learning Objects Repositories on Grid Networks. ICCSA (4) (2010)
Alessandro Costantini, Noelia Faginas Lago, Antonio Laganà, Fermín Huarte-Larrañaga
A Grid Implementation of Direct Quantum Calculations of Rate Coefficients. ICCSA (2) (2009)
Alessandro Costantini, Noelia Faginas Lago, Antonio Laganà, Fermín Huarte-Larrañaga
A Grid Implementation of Direct Semiclassical Calculations of Rate Coefficients. ICCSA (2) (2009)
Noelia Faginas Lago, Antonio Laganà, Fermín Huarte-Larrañaga
Quantum vs Semiclassical Dynamics Approaches from highly symmetric to asymmetric reactions. ICCSA Workshops (2007)
Federico Filomia, Noelia Faginas Lago
A Simplified Myoglobin Model for Molecular Dynamics Calculations. ICCSA (1) (2006)
Noelia Faginas Lago, Antonio Laganà, Ernesto Garcia, X. Gimenez
Reaction: Quasiclassical, Semiclassical and Quantum Calculations. ICCSA (1) (2005)
Antonio Laganà, Noelia Faginas Lago
Foreword. Future Gener. Comput. Syst. 20 (5) (2004)
Noelia Faginas Lago, Antonio Laganà
Initial Value Semiclassical Approaches to Reactive and Non Reactive Transition Probabilities. International Conference on Computational Science (2003)