Computational modeling of cognition and behavior is a multidisciplinary field, covering knowledge in mathematics, psychology, cognitive science, neuroscience, and machine learning. This field simulates human cognition and behavior through mathematical formalization and predicts human behavior through computation of these processes. Such modeling process can help understanding the way humans think and ultimately explore the neural mechanisms behind cognition and behavior. This chapter introduces computational modeling of basic cognitive functions and higher-level cognition (e.g., behavior in social situations). It outlines how to study and predict human behavior through computational modeling, and explains the basic theories and common models that computational modeling relies on. Further, it looks forward to the research direction of applying computational modeling of cognition and behavior in human-artificial intelligence (AI) interaction in the AI era, enabling human-centered AI systems.