Quantum Guru Ji

6.49K subscribers

127 videos

Welcome to our YouTube channel! Here, we will provide tutorials on using Materials Studio and Gaussian for theoretical calculations in computational material...

Latest Videos

QTAIM (Quantum Theory of Atoms in Molecules) Analysis By Dr. Gaurav Jhaa

Harmonic Oscillator Model of Aromaticity HOMA calculation Dr. Gaurav Jhaa

Electron Localization Function (ELF) calculation in Multiwfn By Dr. Gaurav Jhaa

Electrostatic Potential Surface Calculation using Multiwfn Dr. Gaurav Jhaa

Localized Orbital Locator (LOL) calculation in Multiwfn By Dr. Gaurav Jhaa

RAMAN Spectrum Calculation using CASTEP Dr. Gaurav Jhaa

All about Energy Decomposition Analysis (EDA) By Dr. Gaurav Jhaa

Electrostatic Interaction Energy Calc. Using Atomic Charges By Dr. Gaurav Jhaa

Natural Bond Orbital (NBO) & NBO MOs Calculation and Data Analysis Part-2

Natural Resonance Theory (NRT) Calculation and Data Analysis -Part 2 Dr. Gaurav Jhaa

How to select Monkhorst-Pack k-points mesh Dr. Gaurav Jhaa

Conformer Search using Avogadro By Dr. Gaurav Jhaa

How to design a Radar type plot for publication By. Dr. Gaurav Jhaa

All the ways to convert .chk file to .fchk.fch By Dr. Gaurav Jhaa

Electron Density Differences Calculations and Analysis Using CASTEP By Dr. Gaurav Jhaa

Absorption and Emission Spectra Calculations using DFT

Density of States (DOS) Analysis using MS Excel, CASTEP, Materials Studio Dr. Gaurav Jhaa

Molecular Dynamics Simulation

How to do doping in a lattice

Mg Doped ZnO lattice

Periodic System Calculations in Gaussian using PBC

DFT Calculations Using ORCA (Free) Installation, Calculations and Analysis Dr. Gaurav Jhaa

OER, HER and CO2 reduction in ZnO and composite material Dr. Gaurav Jhaa

Structure of Indian Coal

How to design a Composite Hybrid Materials Dr. Gaurav Jhaa

How to find interlayer distance Dr. Gaurav Jhaa

Electrostatic Potential (ESP) Surface Calculations and Analysis

How to Design Carbon Organi Framework (COF) AA..& AB...Stacking

How to Design Metal Oxide (ZnO) for OER, HER etc. Part 2

How to Design Metal Oxide (ZnO) for OER, HER etc. Part1