Catalysis has been instrumental in advancing the energy, food, health, and various other sectors worldwide. However, with the growing emphasis on autonomous discoveries, artificial intelligence, and machine learning, it has become increasingly important to bridge the gap between computational and experimental catalysis. My goal is to contribute to this integration, particularly in the sustainable energy sector, focusing on the production of valuable hydrocarbons, hydrogen, and ammonia. Leveraging my experience in spectroscopy, computation, and experimental techniques in thermal and electrocatalysis, I aim to develop fundamental insights into critical processes and design more efficient catalytic systems.