DFT Calculations Using Schrodinger Jaguar | Geometry Optimization | Energy Calculation | HOMO–LUMO

In this tutorial, we demonstrate how to perform Density Functional Theory (DFT) calculations using the Jaguar module in the Schrödinger Suite. The video provides a step-by-step workflow starting from molecular construction to geometry optimization, molecular orbital analysis, and HOMO–LUMO visualization using Ethanol as an example molecule. We explain key concepts in quantum chemistry including DFT functionals, basis sets, and the HOMO–LUMO Gap, which is important for understanding molecular stability and chemical reactivity. This tutorial is designed for students, researchers, and beginners interested in computational chemistry and molecular modeling using Schrödinger software. Notes: https://github.com/MaddyList/DFT-Scho...