Education/Learning

How to calculate Gibbs Free energy of H* adsorption for Hydrogen evolution reaction (HER)


How to Perform AIMD Calculation in VASP and Analysis with VASPKIT and VMD-Part 1 and 2



How to Perform Gibbs Free Energy Calculation for Oxygen Evolution Reaction OER


How to Calculate the Selectivity of CO2RR vs HER by *COOH or *OCHO vs *H with Adsorption Energies


How to Perform BAND Structure Calculation in VASP and Analysis with VASPKIT



How to Perform DFT+U Calculations in VASP



How to Perform Density of States Calculation in VASP and VASPKIT


Bader Charge Analysis using VASP and Charge Density Difference Plot using VESTA


Phonon Calculations in Materials Science using VASP & phonopy


How to Perform Electron Localization Function ELF in VASP and Analysis by VESTA