PPCCLT lab, 2nd Floor, Department of Energy Science & Engineering Building, IIT Bombay
Introduction to the course:
Computational chemistry has emerged as one of the most crucial components of catalysis research over the past decade. The computational tools are responsible for the significant improvements in understanding the numerous complicated phenomena that are crucial to catalyst behaviour. Modern computational techniques, particularly those based on density functional theory (DFT), have progressed to the point that they may now be routinely used to rationalize and guide experimental catalysis research.
Broad Objectives:
The broad objectives of this course are to provide participants with a basic understanding of computational catalysis and equip them with the necessary knowledge and skills to apply DFT calculations in catalytic systems. Participants will gain insights into the role of computational methods in catalysis research and development. They will learn the principles of DFT and its application in studying catalytic processes. Participants will develop proficiency in setting up DFT calculations. Through case studies, they will be able to analyze and interpret the results in the context of catalytic reactions.
Targeted Audience:
- Researchers and scientists involved in catalysis research and development.
- Professionals seeking to enhance their knowledge and skills in computational catalysis.
Pre-requisite:
- Basic understanding of catalysis principles and concepts.
- A degree in Chemistry, Chemical Engineering, or Physics.
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(Note: All the training courses listed on this website are exclusively for nominated employees of the PSU members of CoE-OGE)