A portfolio of the work done during COMP 260 during S17 at Wesleyan University
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Updated
May 16, 2017 - Python
A portfolio of the work done during COMP 260 during S17 at Wesleyan University
exploration of MD simulations in MATLAB using the Verlet integrator
Python code to generate Lennard-Jones parameters for combustion and detonation modeling
⚛️ Molecular Dynamics Simulation: Lennard-Jones and Damped Harmonic Oscillator
Statistical 2D modeling by the Molecular Dynamics method allows studying equilibrium states of systems.
Python implementation of the anisotropic Gay-Berne potential
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.
NanoMC is a software that simulates Lennard-Jones fluids inside nanotubes.
A molecular dynamics project based on the Lennard-Jones potential
Light program for researching molecules motion with the ability to build graphs of physical quantities.
EIA Project for the Computational Modelling Master's Degree.
Lennard Jones system optimization using the Metropolis Hastings and Simulated Annealing algorithms.
Fast deterministic all-Python Lennard-Jones particle simulator that utilizes Numba for GPU-accelerated computation.
First joint project in Python using Git. Molecular dynamic simulation of Argon atoms.
A 3D interactive program for molecular dynamics
Molecular dynamics simulation and visualization of the Lennard-Jones system utilizing CUDA-enabled GPU's
Approximation of computed data with empirical pair potentials
Scattering on a Lennard-Jones potential, cross-section computation.
Molecular Dynamic on water using Fortran
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