Quantum Guru Ji
@quantumguruji
This channel focus on tutorials related to molecular simulations based on Gaussian and materials simulations based on the material studio.
Gaussian and MATERIALS STUDIO are software packages widely used in computational chemistry and materials science.
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.
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.
Gaussian and MATERIALS STUDIO are software packages widely used in computational chemistry and materials science.
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.
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.
How to design AA.., AB.., ABC.., Stacking
last year
How to design Single and Multi-Wall Nanotube
last year
How to design Nanorope and Nanoribbon
last year
Quickly design any materials in the materials studio
last year
Optical Properties Calculations
last year
Scanning Tunneling Microscopy (STM) Profile
last year
IIT Without JEE ?? || बिना JEE qualify किए IIT में कैसे पढ़ाई करें ||
last year
How to cleave surface and create vacuum slab ||Gaurav Jhaa
last year
ELF (Electron localization function) Calculation and Analysis ||Gaurav Jhaa
last year
X-ray diffraction pattern calculation in Materials Studio
last year
New Concept of hybridization
last year
Basis set superposition error || basis set part 5 || BSSE
last year
Band Structure and Density of State (DOS) Analysis
last year
How to choose a basis set in DFT calculations || part 4
last year
How to choose a basis set in DFT calculations || part 3
last year
How to choose a basis set in DFT calculations || part 2
last year
How to choose a basis set in DFT calculations || part 1
last year
A Guide to Adsorption, Binding Energy, AA.../AB... Stacking and Heterostructure Designing
last year
Molecular Modeling Using Spartan
last year
Mulliken Charge Calculation and Analysis Using Gaussian || Part 5
last year
NBO Analysis and Hyperconjugation Effect in Gaussian
last year
Transition State Calculation-TS Berny, QST2,QST3 in Gaussian
last year
IRC Calculation in Gaussian
last year
Gaussian Output file analysis #DFT
last year
How to cleave the surface in Materials studio
last year
Electrostatic Potential (ESP) Surface Calculations and Analysis Using Gaussian || Part 4
last year
HOMO-LUMO Calculation and Analysis Using DFT method in Gaussian Software || Part 3
last year
Frequency Calculation and Analysis Using DFT method in Gaussian Software || Part 2
last year
Geometry Optimization Using DFT method in Gaussian Software || Part 1
last year
Phonon Using CASTEP tool in Materials Studio
last year