GAMaterial - A genetic-algorithm software for material design and discovery. - Maicon Pierre Lourenço; Jirí Hostas; Lizandra Barrios Herrera; Patrizia Calaminici; Andreas M. Köster; Alain Tchagang; Dennis R. Salahub (J. Comput. Chem., 2023)

Active-learning for global optimization of Ni-Ceria nanoparticles: The case of Ce4-xNixO8-x (x = 1, 2, 3). - Lizandra Barrios Herrera; Maicon Pierre Lourenço; Jirí Hostas; Patrizia Calaminici; Andreas M. Köster; Alain Tchagang; Dennis R. Salahub (J. Comput. Chem., 2024)

Reinforcement learning for in silico determination of adsorbate - substrate structures. - Maicon Pierre Lourenço; Jirí Hostas; Colin Bellinger; Alain Tchagang; Dennis R. Salahub (J. Comput. Chem., 2024)