Greetings, I need a tutorial on using ASE (Quantum espresso) with python interface Three main things to learn: 1- developing structure (SuperCell) 2- Estimating the adsorption energy 3- Determining the energy profile of MEPs using Nudge elastic band method.
Date Posted: 24/05/2022
Category: Chemistry Due Date: 28/05/2022 Willing to Pay: $50.00