12 citations · 21 across the 4 of their papers we have counts for
4 papers
Coding Cross Sections of an Electron Charge Transfer Process
Emília Valença Ferreira de Aragão, Luca Mancini, Xiao He +4
The paper presents the algorithm of a code written for computing the cross section for a charge transfer process involving a neutral molecule and a monatomic ion. The entrance and…
A new method for binary classification of proteins with Machine Learning
Damiano Perri, Marco Simonetti, Andrea Lombardi +2
In this work we set out to find a method to classify protein structures using a Deep Learning methodology. Our Artificial Intelligence has been trained to recognize complex biomole…
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 +1
Graphynes are a family of porous carbon allotropes that are viewed as ideal 2D nanofilters. In this present work, the authors have modified the Improved Lennard-Jones (ILJ) semi-em…
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 +3
The present work focuses on the characterization of the reaction between cyanoacetylene and cyano radical by electronic structure calculations of the stationary points along the mi…