3 papers
physics.app-ph2024
Simulating carbon mineralization at pore scale in capillary networks of digital rock
David A. Lazo Vasquez, Jaione Tirapu Azpiroz, Rodrigo Neumann Barros Ferreira +4
Predicting the geometrical evolution of the pore space in geological formations due to fluid-solid interactions has applications in reservoir engineering, oil recovery, and geologi…
physics.chem-ph2023
Predicting polymerization reactions via transfer learning using chemical language models
Brenda S. Ferrari, Matteo Manica, Ronaldo Giro +2
Polymers are candidate materials for a wide range of sustainability applications such as carbon capture and energy storage. However, computational polymer discovery lacks automated…
cond-mat.mtrl-sci2022
AI powered, automated discovery of polymer membranes for carbon capture
Ronaldo Giro, Hsianghan Hsu, Akihiro Kishimoto +6
The generation of molecules with Artificial Intelligence (AI) is poised to revolutionize materials discovery. Potential applications range from development of potent drugs to effic…