Skip to content

Theoretical and computational tools for approaching at the atomic scale thermodynamics and kinetics of materials.

Notifications You must be signed in to change notification settings

eigenlore/computational-materials-science

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

44 Commits
 
 
 
 
 
 
 
 
 
 
 
 

Repository files navigation

Classical Statistical Mechanics and Molecular Dynamics

This repository contains code and documentation for a course project on classical statistical mechanics and molecular dynamics. The project explores fundamental concepts such as canonical and microcanonical ensembles, the ergodic theorem, and adiabatic approximations. It involves the implementation of molecular dynamics simulations using Lennard-Jones potentials, and also includes Metropolis Monte Carlo simulations and advanced topics like temperature control and rare events.

About

Theoretical and computational tools for approaching at the atomic scale thermodynamics and kinetics of materials.

Resources

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published

Languages