CUDA is widely used in computational chemistry and molecular modeling for accelerating complex simulations and calculations. It enables researchers to perform large-scale quantum mechanical calculations, molecular dynamics simulations, and protein folding studies with significantly faster processing times. By leveraging GPU parallel processing, CUDA enhances the efficiency of algorithms used in drug discovery, material science, and biochemical research. It also supports the development of advanced machine learning models for predicting molecular properties and interactions, making it a critical tool in modern computational research.