A molecular dynamics study of a fully zwitterionic copolymer/ionic liquid-based electrolyte: Li+ transport mechanisms and ionic interactions. - Tuanan C. Lourenço; Mahsa Ebadi; Matthew J. Panzer; Daniel Brandell; Luciano T. Costa (J. Comput. Chem., 2021)

Theoretical Framework Based on Molecular Dynamics and Data Mining Analyses for the Study of Potential Energy Surfaces of Finite-Size Particles. - João Paulo Almeida de Mendonça; Felipe V. Calderan; Tuanan C. Lourenço; Marcos G. Quiles; Juarez L. F. Da Silva (J. Chem. Inf. Model., 2022)

Screening of the Role of the Chemical Structure in the Electrochemical Stability Window of Ionic Liquids: DFT Calculations Combined with Data Mining. - Alex S. Moraes; Gabriel A. Pinheiro; Tuanan C. Lourenço; Mauro C. Lopes; Marcos G. Quiles; Luis Gustavo Dias; Juarez L. F. Da Silva (J. Chem. Inf. Model., 2022)