Mandi: IIT marks 60 yrs of Density Functional Theory

Mandi, July 28

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The Indian Institute of Technology, Mandi, in collaboration with IIT-Ropar and IIT-Guwahati, recently hosted the “International Conference on 60 Years of Density Functional Theory (DFT): Advancements in Theory & Computation”. Organised by the School of Physical Sciences, the event marked the 60th anniversary of DFT, a crucial tool in quantum mechanical modelling.

An IIT-Mandi spokesperson said DFT had been a cornerstone in the advancement of theoretical and computational chemistry and physics, offering insights into the electronic structure of atoms, molecules and condensed matter.

Conference convener Arti Kashyap said, “The conference was unique in its two-part structure. The first part covered the fundamental and basic concepts of the journey of DFT, and its current standing. In the second part, research work from various groups was presented by faculty members of different institutes. About 100 students showcased their work through posters at the conference. The event saw the participation of a diverse array of students and speakers from across India. The free-flowing discussions and interactions between students and faculty from different institutes fostered potential collaborations.”

The event featured a series of sessions that covered a broad spectrum of topics, including “Machine Learning for Materials Science”, “Topology in Quantum Materials”, “Exotic Quantum Effects”, “Spin-Orbit Related Phenomena” and “Magnetism in 2D Materials”.