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Quantum Guru Ji

Total Videos: 37

This channel focus on tutorials related to molecular simulations based on Gaussian and materials simulations based on the material studio. <br />Gaussian and MATERIALS STUDIO are software packages widely used in computational chemistry and materials science.<br /><br />Gaussian is a popular computational chemistry software that uses various quantum mechanical methods, such as density functional theory (DFT) and Hartree-Fock, to study the properties of molecules and solids. It can be used for geometry optimization, frequency calculations, and HOMO-LUMO calculations.<br /><br />MATERIALS STUDIO is a software package developed by Accelrys (now part of Biovia) that provides a wide range of materials modeling and simulation tools. It includes modules for quantum mechanics, molecular dynamics, and classical mechanics simulations, as well as databases of materials properties and tools for visualizing and analyzing simulation results.

Playlists

How to design AA.., AB.., ABC.., Stacking

Uploaded: May 15, 2023 Views: 49

How to design Single and Multi-Wall Nanotube

Uploaded: May 12, 2023 Views: 12

How to design Nanorope and Nanoribbon

Uploaded: May 6, 2023 Views: 18

Optical Properties Calculations

Uploaded: April 23, 2023 Views: 57

Scanning Tunneling Microscopy (STM) Profile

Uploaded: April 11, 2023 Views: 12

New Concept of hybridization

Uploaded: March 24, 2023 Views: 1

Band Structure and Density of State (DOS) Analysis

Uploaded: March 4, 2023 Views: 3

How to choose a basis set in DFT calculations || part 4

Uploaded: February 24, 2023 Views: 2

How to choose a basis set in DFT calculations || part 3

Uploaded: February 21, 2023 Views: 2

How to choose a basis set in DFT calculations || part 2

Uploaded: February 18, 2023 Views: 2

How to choose a basis set in DFT calculations || part 1

Uploaded: February 16, 2023 Views: 5

Molecular Modeling Using Spartan

Uploaded: January 31, 2023 Views: 57

NBO Analysis and Hyperconjugation Effect in Gaussian

Uploaded: January 31, 2023 Views: 45

Transition State Calculation-TS Berny, QST2,QST3 in Gaussian

Uploaded: January 28, 2023 Views: 111

IRC Calculation in Gaussian

Uploaded: January 24, 2023 Views: 112

Gaussian Output file analysis #DFT

Uploaded: January 23, 2023 Views: 3

How to cleave the surface in Materials studio

Uploaded: January 19, 2023 Views: 41

Phonon Using CASTEP tool in Materials Studio

Uploaded: January 18, 2023 Views: 6

Calculations Using Dmol3 tool in Materials Studio

Uploaded: January 18, 2023 Views: 1

Calculations Using CASTEP tool in Materials Studio

Uploaded: January 18, 2023 Views: 5

Introduction to materials studio 2

Uploaded: January 18, 2023 Views: 1
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