6 citations · 6 across the 4 of their papers we have counts for
4 papers
Predicting the Energetic Stabilization of Janus-MoSSe/AlN Heterostructures: A DFT Study
Ramiro M. dos Santos, Marcelo L. Pereira Junior, Luiz F. Roncaratti Junior +1
The packing mechanisms between Janus-MoSSe and Aluminum-Nitride (AlN) sheets were systematically investigated by using Density Function Theory calculations. Results show that the s…
Vibrational spectrum of the H5+ molecule using quantum Monte Carlo
Washington Barbosa da Silva, Luiz Roncaratti, Geraldo Magela e Silva +1
In this article we present a caracterization of the vibrational spectrum of the H5+ molecule using the correlation function quantum Monte Carlo (CFQMC) method and a genetic algorit…
A genetic algorithm to build diatomic potentials
Luiz Fernando Roncaratti, Ricardo Gargano, Geraldo Magela e Silva
Several types of numerical and combinatorial optimization algorithms have been used as useful tools to minimize functional forms. Generally, when those forms are non-linear or occu…
Fitting potential energy surface of reactive system via genetic algorithm
Wiliam Ferreira da Cunha, Luiz Fernando Roncaratti, Ricardo Gargano +1
In this work, we present a new fitting of the Na+HF potential energy surface (PES) utilizing a new optmization method based in Genetic Algorithm. Topology studies, such as isoenerg…