GREEN SOLVENT LABORATORY

@ Department of Chemical Engineering, IIT Guwahati, Guwahati, India.

Tutorials

    Packmol
    Molecular Simulation
    General guidelines for generating or creating the initial configuration for your molecular simulation run
    Pre-requisite: Basic knowledge about Molecular simulations

    Viscosity
    Property calculation
    Insights on calculating the viscosity of a system using the Green-Kubo approach
    Pre-requisite: Sound coding skills, idea about correlation functions

    Gold Nanoparticles
    Initial Structure
    Insights on generating gold nanoparticle structures for your next simulation
    Pre-requisite: None

    Advanced Packmol
    Molecular Simulation
    Advanced guidelines for creating a nanotube+graphene cage to apply electric field
    Pre-requisite: Deftness with packmol (refer packmol tutorial)

    Amber
    Molecular Simulation
    Elementary tutorial for carrying out molecular dynamics simulations
    Pre-requisite: Basic knowledge about Molecular simulations

Copyrights © Dr. Tamal Banerjee, Dept. of Chemical Engineering, IIT Guwahati.