lennard-jones-potential

A simulation of the argon atom interactions with a Lennard-Jones potential.

Examples of algorithms for calculating particle interactions

Lennard Jones system optimization using the Metropolis Hastings and Simulated Annealing algorithms.

Monte Carlo program for simulation of multicomponent systems using arbitrary potential models

Code and documentation for the framework implemented in the paper: Active-Learning Assisted General Framework for Efficient Parameterization of Force Fields

Program to perform a liquid simulation in order to obtain the radial distribution function using a Monte Carlo approach. The program can use two different potential types, Lennard-Jones and Stillinger potentials.

A tool for preprocessing, extracting, and identifying critical regions of interest in AFM protein sample data. The repository applies the Lennard-Jones Potential fit to analyze and model the interaction forces at the nanoscale, providing insights into protein structure and behavior.

VIsualize forcefield with matplotlib

Molecular dynamics simulator implemented with the verlet algorirthm.

This is my thesis work for the Bachelor's degree in Physics. / Este es mi trabajo de titulación para la Licenciatura en Física.

Cymol: A Research and Educational Project on Classical Molecular Dynamics

kd-tree

Estimation of Gas Properties from the Lennard-Jones Potential

Numpy Array and Graph plotting with Scatter plots.

Computation Code to simulate the basic behaviour of a system of particles and determine its consistency under the Lennard Jones Potential Curve.

Parallel molecular dynamics implementations in Python/MPI, C++/MPI, and MATLAB/parfor for scalability analysis.

Numpy Polynomial and SciPy physical constants.