MOlecular Modeling of Catalytic reactions

This course is a must for those working in catalysis. You get to appreciate the theory behind various experimental observations. Tutorial sessions are provided for various software so that students could generate results themselves. A lot of emphasis is on reading research articles, which is very important for a graduate level course. Design of catalysts at a molecular level to achieve the desired performance parameters is quite interesting.

-Prof. Divesh Bhatia, IIT Delhi


The course enabled me to appreciate as well as understand the full range of theories and efforts involved in building the basics of Density Functional Theory calculations. The best part about the course is a balanced combination of theoretical ideas and its application from the latest in research.

-Dr. Manish Agarwal , HPC Admin, IIT Delhi


Advanced Simulation Methods (ASM): DFT, MD and Beyond

ASM is a first-of-its-kind event dedicated to advanced computational methods such as Density Functional Theory (DFT), Molecular Dynamics (MD) simulation techniques and their applications to solve various multiscale and multidisciplinary research problems. The aim of the event is to bring together researchers and scientists working in various computational methods to exchange ideas in state-of-the-art methods in electronic and atomic structure.