A sequential Monte Carlo/Quantum Mechanics study of the dipole polarizability of liquid benzene. - Eudes Eterno Fileti; Sylvio Canuto (J. Comput. Methods Sci. Eng., 2004)

Thermodynamic stability of hydrogen-bonded systems in polar and nonpolar environments. - Hasan Pasalic; Adélia J. A. Aquino; Daniel Tunega; Georg Haberhauer; Martin H. Gerzabek; Herbert C. Georg; Tatiane F. Moraes; Kaline Coutinho; Sylvio Canuto; Hans Lischka (J. Comput. Chem., 2010)

DICE: A Monte Carlo Code for Molecular Simulation Including the Configurational Bias Monte Carlo Method. - Henrique M. Cezar; Sylvio Canuto; Kaline Coutinho (J. Chem. Inf. Model., 2020)

Unraveling the Electric Field-Induced Second Harmonic Generation Responses of Stilbazolium Ion Pairs Complexes in Solution Using a Multiscale Simulation Method. - Tárcius N. Ramos; Sylvio Canuto; Benoît Champagne 002 (J. Chem. Inf. Model., 2020)