Quantum Guru Ji
Welcome to our YouTube channel! Here, we will provide tutorials on using Materials Studio and Gaussian for theoretical calculations in computational materials science. Our videos will cover various topics, including how to set up and run electronic structure calculations, optimize crystal structures, and simulate the behavior of materials under different conditions. We will also discuss different features of Materials Studio and Gaussian and how they can be used together to gain a deeper understanding of materials at the atomic and molecular levels. Whether you're a student, researcher, or industry professional, our videos will provide valuable insights into the power of computational materials science and how it can be used to advance the field. So, stay tuned, and subscribe to our channel for the latest updates!
https://sites.google.com/view/gauravjhaa/bio
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
Моделирование молекулярной динамики
How to do doping in a lattice
Mg Doped ZnO lattice
Periodic System Calculations in Gaussian using PBC
Расчеты DFT с использованием ORCA (бесплатное ПО): установка, расчеты и анализ ||Д-р Гаурав Джаа
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
Как спроектировать углеродный органический каркас (COF) || AA..& AB...Стекирование
How to Design Metal Oxide (ZnO) for OER, HER etc. || Part 2
How to Design Metal Oxide (ZnO) for OER, HER etc. || Part1
How to include solvent parameters in DFT Calculations
How to design Supercell
Band Structure Calculations in CASTEP || By Dr. Gaurav Jhaa
How to include solvent in the DFT calculations || Dr. Gaurav Jhaa
Как выполнить расчет DFT при разных температурах и давлениях с использованием гауссова уравнения
NATURAL RESONANCE THEORY ANALYSIS (NRT) in Gaussian - Part 1 || Dr. Gaurav Jhaa
EPR Parameters Calculations using Gaussian ||Electron Paramagnetic Resonance
Все о коррекции Хаббарда DFT+U || Доктор Гаурав Джаа