Computer aided molecular design coupled with molecular dynamics as a novel approach to design new lubricants. - Darinel Valencia-Marquez; Antonio Flores-Tlacuahuac; Alejandro J. García-Cuéllar; Luis A. Ricardez-Sandoval (Comput. Chem. Eng., 2022)

Computer aided molecular design coupled to deep learning techniques as a less-expensive approach to design organic photoredox catalysts. - Darinel Valencia-Marquez; Antonio Flores-Tlacuahuac; Alan Aguirre-Soto (Comput. Chem. Eng., 2023)