Biography 

Kalil Bernardino holds a Master's degree in Chemistry and a PhD in Physical Chemistry, which he earned in 2018 from the Federal University of São Carlos (UFSCar). He has been an associate professor in the Department of Chemistry at the Federal University of São Carlos (UFSCar) since 2022. As a specialist in molecular simulations, he primarily uses molecular dynamics, as well as quantum chemistry and Monte Carlo methods, to study the thermodynamic, structural, and transport properties of complex systems. His research focuses on ionic liquids, deep eutectic solvents, surfactant monolayers, nanoparticle dispersions, and, more recently, biological membranes.

Collaboration with the Chemistry Laboratory

Kalil Bernardino’s visit strengthens the existing collaboration between the teams led by Agílio Pádua and Paulo Telles de Souza (LBMC), combining their respective expertise in complex liquids and nanomaterials while incorporating a multiscale approach (atomic and coarse-grained).

His current project, focused on transition metal complexes and their interactions with biomolecules (such as DNA and lipid membranes), opens up new therapeutic avenues, particularly for cancer treatment. This area, which has yet to be fully explored by French teams, will benefit from his expertise in molecular dynamics simulations and Agílio Pádua’s experience in developing force fields. This collaboration will enable the development of precise models to study the efficacy of these complexes, while exploring large-scale simulation methods with Paulo Telles de Souza.

Kalil Bernardino’s arrival will also foster academic exchanges between UFSCar and ENS de Lyon, with opportunities for Brazilian students to undertake internships or research stays at LCH. Kalil Bernardino had already applied for FAPESP funding to host a student in the fall of 2024. Finally, this collaboration will strengthen ties between the LCH and LBMC laboratories, while expanding ENS de Lyon's research focus to include biomedical applications and innovative materials.

Major publications

• “Enhanced optical asymmetry in supramolecular chiroplasmonic assemblies with long-range order”, J Lu, Y Xue,
  K Bernardino, NN Zhang, WR Gomes, et al., Science 371 (6536), 1368-1374, 2021
• “Emergence of complexity in hierarchically organized chiral particles”, W Jiang, Z Qu, P Kumar, D Vecchio, Y Wang,
  Y Ma, JH Bahng, et al., Science 368 (6491), 642-648, 2020
• “Effect of alkyl-group flexibility on the melting point of imidazolium-based ionic liquids”, K Bernardino, Y Zhang,
  MCC Ribeiro, EJ Maginn, The Journal of Chemical Physics 153 (4), 044504, 2020
• “Aggregation thermodynamics of sodium octanoate micelles studied by means of molecular dynamics simulations”,
  K Bernardino, AF de Moura, The Journal of Physical Chemistry B 11 (24), 7324-7334, 2013
• “Surface electrostatic potential and water orientation in the presence of sodium octanoate dilute monolayers studied by means of molecular dynamics simulations”, K Bernardino, AF de Moura, Langmuir 31 (40), 10995-11004, 2015