LAMMPS tutorials by Simon Gravelle, ICP,
Stuttgart, Germany

Tutorial

Simple molecular simulation of a Lennard-Jones binary gas; diffusion and mixing

#beginner
#molecular dynamics

Tutorial

Binary lennard-jones fluid flow through a rigid porous membrane; osmosis and permeability

#beginner
#molecular dynamics
#non equilibrium

Tutorial

Sodium chloride aqueous electrolyte nanoconfined between two rigid walls

#intermediate
#molecular dynamics

Tutorial

Generation and imposed deformation on graphene sheet and carbon nanotube

#intermediate
#molecular dynamics
#solid deformation
#topotool-vmd

Tutorial

Water adsorption in porous silica crack

#advanced
#molecular dynamics
#grand canonical Monte Carlo

Tutorial

Free energy calculation using both umbrella sampling and free sampling

#advanced
#molecular dynamics
#umbrella sampling


Miscellaneous

Molecular simulation checklist Non-exhaustive list of tasks to complete before, during, and at the end of a simulation

#tips
#beginner

Miscellaneous

Visual representation: A few tips for image and video rendering with VMD

#tips
#visualisation
#beginner

Miscellaneous

Collection of LAMMPS input files

#inputs

Miscellaneous

Molecular Analysis tool for Interfacial and Confined Systems

#data analysis
#external link

Miscellaneous

Python script to calculate NMR relaxation times

#data analysis
#external link

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