Prospects for Using Artificial Intelligence to Understand Intrinsic Kinetics of Heterogeneous Catalytic Reactions
Artificial intelligence (AI) is influencing heterogeneous catalysis research by accelerating simulations and materials discovery. A key frontier is integrating AI with multiscale models and multimodal experiments to address the "many-to-one" challenge of linking intrinsic kinetics to observables. Advances in machine-learned force fields, microkinetics, and reactor modeling enable rapid exploration of chemical spaces, while operando and transient data provide unprecedented insight. Yet, inconsistent data quality and model complexity limit mechanistic discovery. Generative and agentic AI can automate model generation, quantify uncertainty, and couple theory with experiment, realizing "self-driving models" that produce interpretable, reproducible, and transferable understanding of catalytic systems.
Code (0)
등록된 구현이 없습니다.
Similar Papers 제목 키워드 기반
Challenges and Prospects in Vision and Language Research
Language grounded image understanding tasks have often been proposed as a method for evaluating progress in artificial intelligence. Ideally, these tasks should test a plethora of capabilities that integrate computer vis…
Natural Language UnderstandingDeep Learning Approaches for Improving Question Answering Systems in Hepatocellular Carcinoma Research
In recent years, advancements in natural language processing (NLP) have been fueled by deep learning techniques, particularly through the utilization of powerful computing resources like GPUs and TPUs. Models such as BER…
Question AnsweringVisual Sensation and Perception Computational Models for Deep Learning: State of the art, Challenges and Prospects
Visual sensation and perception refers to the process of sensing, organizing, identifying, and interpreting visual information in environmental awareness and understanding. Computational models inspired by visual percept…
DiversityActivism by the AI Community: Analysing Recent Achievements and Future Prospects
The artificial intelligence community (AI) has recently engaged in activism in relation to their employers, other members of the community, and their governments in order to shape the societal and ethical implications of…
Cultural Vocal Bursts Intensity PredictionArtificial Intelligence-Enabled Space Robot Operations: Technologies, Challenges and Prospects
Space robots are increasingly expected to perform long-duration, contact-rich, and multi-stage operations with limited human intervention. Recent advances in artificial intelligence (AI), robot learning, and embodied fou…
Continual Learning