Noelia Faginas Lago

According to our database, Noelia Faginas Lago authored at least 53 papers between 2003 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2024

A Computational Analysis of the DMSO-Water Interaction: Toward the Implementation of an Accurate Force Field.

Luca Mancini, Andrea Lombardi, Fernando Pirani, Leonardo Pacifici, Marzio Rosi, Noelia Faginas Lago

Proceedings of the Computational Science and Its Applications - ICCSA 2024 Workshops, 2024

The rmHe^+. + rmCH_3rmCN Charge-Exchange Reaction: A Combined Semi-empirical and Quantum Chemical Study.

Luca Mancini, Emília Valença Ferreira de Aragão, Fernando Pirani, Marzio Rosi, Noelia Faginas Lago, Daniela Ascenzi

Proceedings of the Computational Science and Its Applications - ICCSA 2024 Workshops, 2024

Insights into Ion Conduction Mechanisms Through the ORF3a Channel by Computational Modelling.

Nuria Anguita-Ortiz, Andrea Lombardi, Noelia Faginas Lago, Juan J. Nogueira

Proceedings of the Computational Science and Its Applications - ICCSA 2024 Workshops, 2024

2023

A Computational Study of the Reaction Between N(²D) and Simple Aromatic Hydrocarbons.

Marzio Rosi, Nadia Balucani, Piergiorgio Casavecchia, Noelia Faginas Lago, Luca Mancini, Dimitrios Skouteris, Gianmarco Vanuzzo

Proceedings of the Computational Science and Its Applications - ICCSA 2023 Workshops, 2023

Protein Tetrahedral Networks by Invariant Shape Coordinates.

Andrea Lombardi, Noelia Faginas Lago, Leonardo Pacifici

Proceedings of the Computational Science and Its Applications - ICCSA 2023 Workshops, 2023

Coding Cross Sections of an Electron Charge Transfer Process: Analysis of Different Cuts for the Entrance and Exit Potentials.

Noelia Faginas Lago, Emília Valença Ferreira de Aragão, Luca Mancini, Marzio Rosi, Daniela Ascenzi, Fernando Pirani

Proceedings of the Computational Science and Its Applications - ICCSA 2023 Workshops, 2023

2022

The Assembly of a Computing Platform for Studying Protein Inhibitors Against COVID-19 Replication.

Leonardo Pacifici, Ribi Akbar, Andrea Lombardi, Giuseppe Vitillaro, Noelia Faginas Lago

Proceedings of the Computational Science and Its Applications - ICCSA 2022 Workshops, 2022

Protein Networks by Invariant Shape Coordinates and Deformation Indexes.

Andrea Lombardi, Noelia Faginas Lago, Leonardo Pacifici

Proceedings of the Computational Science and Its Applications - ICCSA 2022 Workshops, 2022

Confinement of CO₂ Inside (20, 0) Single-Walled Carbon Nanotubes.

Noelia Faginas Lago, Andrea Lombardi, Yusuf Bramastya Apriliyanto, Leonardo Pacifici

Proceedings of the Computational Science and Its Applications - ICCSA 2022 Workshops, 2022

A Theoretical Study on trans-Resveratrol - Cu(I) Complex.

Concetta Caglioti, Antonella De Luca, Chiara Pennetta, Lorenzo Monarca, Francesco Ragonese, Paola Sabbatini, Noelia Faginas Lago, Andrea Lombardi, Federico Palazzetti, Bernard Fioretti

Proceedings of the Computational Science and Its Applications - ICCSA 2022 Workshops, 2022

Coding Cross Sections of an Electron Charge Transfer Process.

Emília Valença Ferreira de Aragão, Luca Mancini, Xiao He, Noelia Faginas Lago, Marzio Rosi, Daniela Ascenzi, Fernando Pirani

Proceedings of the Computational Science and Its Applications - ICCSA 2022 Workshops, 2022

2021

A New Method for Binary Classification of Proteins with Machine Learning.

Damiano Perri, Marco Simonetti, Andrea Lombardi, Noelia Faginas Lago, Osvaldo Gervasi

Proceedings of the Computational Science and Its Applications - ICCSA 2021, 2021

Classification of Biomolecules by Invariant Shape Coordinates and Deformation Indexes.

Andrea Lombardi, Noelia Faginas Lago

Proceedings of the Computational Science and Its Applications - ICCSA 2021, 2021

Intermolecular Forces for the Interaction of H₂O-Graphtriyne Membrane: Contribution of Induction Effects.

Noelia Faginas Lago, Yusuf Bramastya Apriliyanto, Andrea Lombardi

Proceedings of the Computational Science and Its Applications - ICCSA 2021, 2021

A Minimal Model of Potential Energy Surface for the CO₂ - CO System.

Concetta Caglioti, Noelia Faginas Lago, Andrea Lombardi, Federico Palazzetti

Proceedings of the Computational Science and Its Applications - ICCSA 2021, 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

Proceedings of the Computational Science and Its Applications - ICCSA 2021, 2021

2020

Binary Classification of Proteins by a Machine Learning Approach.

Damiano Perri, Marco Simonetti, Andrea Lombardi, Noelia Faginas Lago, Osvaldo Gervasi

Proceedings of the Computational Science and Its Applications - ICCSA 2020, 2020

Classification of Shapes and Deformations of Large Systems by Invariant Coordinates.

Andrea Lombardi, Noelia Faginas Lago

Proceedings of the Computational Science and Its Applications - ICCSA 2020, 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

Proceedings of the Computational Science and Its Applications - ICCSA 2020, 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, Dimitrios Skouteris

Proceedings of the Computational Science and Its Applications - ICCSA 2020, 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

Proceedings of the Computational Science and Its Applications - ICCSA 2020, 2020

2019

Electronic Structure and Kinetics Calculations for the Si+SH Reaction, a Possible Route of SiS Formation in Star-Forming Regions.

Marzio Rosi, Dimitrios Skouteris, Nadia Balucani, Luca Mancini, Noelia Faginas Lago, Linda Podio, Claudio Codella, Bertrand Lefloch, Cecilia Ceccarelli

Proceedings of the Computational Science and Its Applications - ICCSA 2019, 2019

The Invariance Approach to Structure and Dynamics: Classical Hyperspherical Coordinates.

Andrea Lombardi, Noelia Faginas Lago, Vincenzo Aquilanti

Proceedings of the Computational Science and Its Applications - ICCSA 2019, 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

Proceedings of the Computational Science and Its Applications - ICCSA 2019, 2019

2018

Nitrogen Gas on Graphene: Pairwise Interaction Potentials.

Jelle Vekeman, Noelia Faginas Lago, Inmaculada García Cuesta, José Sánchez-Marín, Alfredo M. J. Sánchez De Merás

Proceedings of the Computational Science and Its Applications - ICCSA 2018, 2018

A Theoretical Investigation of the Reaction H+SiS2 and Implications for the Chemistry of Silicon in the Interstellar Medium.

Dimitrios Skouteris, Marzio Rosi, Nadia Balucani, Luca Mancini, Noelia Faginas Lago, Linda Podio, Claudio Codella, Bertrand Lefloch, Cecilia Ceccarelli

Proceedings of the Computational Science and Its Applications - ICCSA 2018, 2018

Confinement of the Pentanitrogen Cation Inside Carbon Nanotubes.

Stefano Battaglia, Stefano Evangelisti, Thierry Leininger, Noelia Faginas Lago

Proceedings of the Computational Science and Its Applications - ICCSA 2018, 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, Federico Palazzetti, Fernando Pirani

Proceedings of the Computational Science and Its Applications - ICCSA 2018, 2018

2017

Acetone-Water Mixtures: Molecular Dynamics Using a Semiempirical Intermolecular Potential.

Noelia Faginas Lago, Margarita Albertí, Andrea Lombardi, Federico Palazzetti

Proceedings of the Computational Science and Its Applications - ICCSA 2017, 2017

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, Dimitrios Skouteris

Proceedings of the Computational Science and Its Applications - ICCSA 2016, 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

Proceedings of the Computational Science and Its Applications - ICCSA 2016, 2016

Collisional Energy Exchange in CO _2 -N _2 Gaseous Mixtures.

Andrea Lombardi, Noelia Faginas Lago, Gaia Grossi, Federico Palazzetti, Vincenzo Aquilanti

Proceedings of the Computational Science and Its Applications - ICCSA 2016, 2016

Acetone Clusters Molecular Dynamics Using a Semiempirical Intermolecular Potential.

Noelia Faginas Lago, Margarita Albertí, Andrea Lombardi

Proceedings of the Computational Science and Its Applications - ICCSA 2016, 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

Proceedings of the Computational Science and Its Applications - ICCSA 2016, 2016

2015

A Theoretical Investigation of 1-Butanol Unimolecular Decomposition.

Leonardo Pacifici, Noelia Faginas Lago, Andrea Lombardi, Nadia Balucani, Domenico Stranges, Stefano Falcinelli, Marzio Rosi

Proceedings of the Computational Science and Its Applications - ICCSA 2015, 2015

Ion-Water Cluster Molecular Dynamics Using a Semiempirical Intermolecular Potential.

Noelia Faginas Lago, Margarita Albertí, Antonio Laganà, Andrea Lombardi

Proceedings of the Computational Science and Its Applications - ICCSA 2015, 2015

2014

Grid Calculation Tools for Massive Applications of Collision Dynamics Simulations: Carbon Dioxide Energy Transfer.

Andrea Lombardi, Noelia Faginas Lago, Antonio Laganà

Proceedings of the Computational Science and Its Applications - ICCSA 2014 - 14th International Conference, Guimarães, Portugal, June 30, 2014

The Molecular Stirrer Catalytic Effect in Methane Ice Formation.

Noelia Faginas Lago, Margarita Albertí, Antonio Laganà, Andrea Lombardi, Leonardo Pacifici, Alessandro Costantini

Proceedings of the Computational Science and Its Applications - ICCSA 2014 - 14th International Conference, Guimarães, Portugal, June 30, 2014

2013

A high-level <i>ab initio</i> study of the N₂ + N₂ reaction channel.

Leonardo Pacifici, Marco Verdicchio, Noelia Faginas Lago, Andrea Lombardi, Alessandro Costantini

J. Comput. Chem., 2013

Carbon Oxides in Gas Flows and Earth and Planetary Atmospheres: State-to-State Simulations of Energy Transfer and Dissociation Reactions.

Andrea Lombardi, Antonio Laganà, Fernando Pirani, Federico Palazzetti, Noelia Faginas Lago

Proceedings of the Computational Science and Its Applications - ICCSA 2013, 2013

Water (H2O) m or Benzene (C6H6) n Aggregates to Solvate the K + ?

Noelia Faginas Lago, Margarita Albertí, Antonio Laganà, Andrea Lombardi

Proceedings of the Computational Science and Its Applications - ICCSA 2013, 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, Noelia Faginas Lago, Fernando Pirani

Proceedings of the Computational Science and Its Applications - ICCSA 2013, 2013

2012

An extension of the grid empowered molecular simulator to quantum reactive scattering.

Sergio Rampino, Noelia Faginas Lago, Antonio Laganà, Fermín Huarte-Larrañaga

J. Comput. Chem., 2012

A Bond-Bond Portable Approach to Intermolecular Interactions: Simulations for N-methylacetamide and Carbon Dioxide Dimers.

Andrea Lombardi, Noelia Faginas Lago, Antonio Laganà, Fernando Pirani, Stefano Falcinelli

Proceedings of the Computational Science and Its Applications - ICCSA 2012, 2012

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., 2010

Distributed and Collaborative Learning Objects Repositories on Grid Networks.

Simonetta Pallottelli, Sergio Tasso, Nicola Pannacci, Alessandro Costantini, Noelia Faginas Lago

Proceedings of the Computational Science and Its Applications, 2010

2009

A Grid Implementation of Direct Quantum Calculations of Rate Coefficients.

Alessandro Costantini, Noelia Faginas Lago, Antonio Laganà, Fermín Huarte-Larrañaga

Proceedings of the Computational Science and Its Applications, 2009

A Grid Implementation of Direct Semiclassical Calculations of Rate Coefficients.

Alessandro Costantini, Noelia Faginas Lago, Antonio Laganà, Fermín Huarte-Larrañaga

Proceedings of the Computational Science and Its Applications, 2009

2007

Quantum vs Semiclassical Dynamics Approaches from highly symmetric to asymmetric reactions.

Noelia Faginas Lago, Antonio Laganà, Fermín Huarte-Larrañaga

Proceedings of the Selected Papers of the Fifth International Conference on, 2007

2006

A Simplified Myoglobin Model for Molecular Dynamics Calculations.

Federico Filomia, Noelia Faginas Lago

Proceedings of the Computational Science and Its Applications, 2006

2005

Thermal Rate Coefficients for the N+N₂ Reaction: Quasiclassical, Semiclassical and Quantum Calculations.

Noelia Faginas Lago, Antonio Laganà, Ernesto Garcia, X. Gimenez

Proceedings of the Computational Science and Its Applications, 2005

2004

Foreword.

Antonio Laganà, Noelia Faginas Lago

Future Gener. Comput. Syst., 2004

2003

Initial Value Semiclassical Approaches to Reactive and Non Reactive Transition Probabilities.

Noelia Faginas Lago, Antonio Laganà

Proceedings of the Computational Science - ICCS 2003, 2003