Yambo is a computational tool primarily used for first-principles calculations of excited-state properties in condensed matter physics. Although Yambo is not specifically designed for catalysis, its applications can be extended to the field. By employing the principles of Density Functional Theory (DFT) and Many-Body Perturbation Theory (MBPT), Yambo can help in understanding the electronic properties of catalysts, which are crucial for designing efficient catalytic processes.
