Computational Catalysis and Catalyst Design – Training Services

Computational Catalysis and Catalyst Design – Training Services provides participants with comprehensive training on using computational methods to study catalytic processes and design efficient catalysts. The course covers reaction mechanism analysis, transition state identification, energy profile calculations, and optimization of catalyst structures using molecular modeling and quantum chemical tools. Participants learn to predict catalytic activity, selectivity, and stability, and integrate computational insights with experimental research workflows. Emphasis is placed on accuracy, reproducibility, and effective use of computational tools to accelerate catalyst development. Through practical exercises and case studies, learners gain the expertise to model catalytic systems, design novel catalysts, and advance research in chemical synthesis and industrial catalysis.