Gaussian Training: Density Functional Theory (DFT)

Centre for Functional Materials – Vellore Institute of Technology (VIT) and SCUBE Scientific jointly conducted a 05 day hands-on training on Density Functional Theory & its Applications using Gaussian 16 from November 7 – 11 2022.

Density Functional Theory(DFT) is used worldwide for geometry optimization, energy minimization, spectroscopic parameters property calculations etc. in organic and inorganic chemistry, materials sciences like metallurgy or ceramics and for electronic materials, to just name a few areas. The session covered fundamental knowledge of DFT utilization with Gaussian16 software. The program was very beneficial and engaging for research scholars and master students who are working in the area of DFT theory. The experienced trainers from SCUBE interacted with the participants and shared their earned knowledge, prioritising query addressing . In this way, the whole conjunction became a unique of its own kind where the beginners and trained participants could grab the ample chance to learn new approaches in DFT .

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