Statistical 2D modeling by the Molecular Dynamics method allows studying equilibrium states of systems.
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Updated
Oct 19, 2019 - Pascal
Statistical 2D modeling by the Molecular Dynamics method allows studying equilibrium states of systems.
⚛️ Molecular Dynamics Simulation: Lennard-Jones and Damped Harmonic Oscillator
Lennard Jones system optimization using the Metropolis Hastings and Simulated Annealing algorithms.
EIA Project for the Computational Modelling Master's Degree.
A portfolio of the work done during COMP 260 during S17 at Wesleyan University
First joint project in Python using Git. Molecular dynamic simulation of Argon atoms.
Light program for researching molecules motion with the ability to build graphs of physical quantities.
Molecular Dynamic on water using Fortran
Approximation of computed data with empirical pair potentials
Reimplementation of the code used in my PhD thesis - Charged fluids near interfaces: Integral equation theory
Python implementation of the anisotropic Gay-Berne potential
A molecular dynamics project based on the Lennard-Jones potential
NanoMC is a software that simulates Lennard-Jones fluids inside nanotubes.
Python code to generate Lennard-Jones parameters for combustion and detonation modeling
Plot individual potential functions that comprise force fields. Ideal for presentations. Includes energy terms for bonds (harmonic), angles (harmonic), proper torsion (periodic cosine), improper torsion (harmonic), van der Waals (Lennard-Jones), electrostatics (Coulomb), and the Morse potential.
exploration of MD simulations in MATLAB using the Verlet integrator
A 3D interactive program for molecular dynamics
Scattering on a Lennard-Jones potential, cross-section computation.
Molecular dynamics simulation and visualization of the Lennard-Jones system utilizing CUDA-enabled GPU's
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