Molecular simulation in Julia
Fast deterministic all-Python Lennard-Jones particle simulator that utilizes Numba for GPU-accelerated computation.
Molecular dynamics simulation and visualization of the Lennard-Jones system utilizing CUDA-enabled GPU's
Scattering on a Lennard-Jones potential, cross-section computation.
A 3D interactive program for molecular dynamics
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
Python code to generate Lennard-Jones parameters for combustion and detonation modeling
NanoMC is a software that simulates Lennard-Jones fluids inside nanotubes.
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.
Wolfram language coding examples
Molecular Dynamic on water using Fortran
Python implementation of the anisotropic Gay-Berne potential
Approximation of computed data with empirical pair potentials
Reimplementation of the code used in my PhD thesis - Charged fluids near interfaces: Integral equation theory
A molecular dynamics project based on the Lennard-Jones potential
⚛️ Molecular Dynamics Simulation: Lennard-Jones and Damped Harmonic Oscillator
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