Chemical Kinetics

Chemical kinetics studies the rates and mechanisms of chemical reactions, aiming to predict reaction outcomes and optimize processes. Current research heavily emphasizes developing machine learning models, particularly neural networks like DeepONets, NeuralODEs, and normalizing flows, to accelerate simulations and improve the accuracy of predicting reaction pathways, especially in complex systems like combustion and interstellar media. These advancements are crucial for improving the efficiency of industrial processes, enabling more accurate modeling of complex phenomena, and facilitating the design of novel materials and chemical processes.