Molecular simulation in Julia
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Updated
Oct 17, 2024 - Julia
Molecular simulation in Julia
Fast deterministic all-Python Lennard-Jones particle simulator that utilizes Numba for GPU-accelerated computation.
Scattering on a Lennard-Jones potential, cross-section computation.
Reimplementation of the code used in my PhD thesis - Charged fluids near interfaces: Integral equation theory
exploration of MD simulations in MATLAB using the Verlet integrator
Python code to generate Lennard-Jones parameters for combustion and detonation modeling
A 3D interactive program for molecular dynamics
A molecular dynamics project based on the Lennard-Jones potential
⚛️ Molecular Dynamics Simulation: Lennard-Jones and Damped Harmonic Oscillator
Statistical 2D modeling by the Molecular Dynamics method allows studying equilibrium states of systems.
A portfolio of the work done during COMP 260 during S17 at Wesleyan University
NanoMC is a software that simulates Lennard-Jones fluids inside nanotubes.
Light program for researching molecules motion with the ability to build graphs of physical quantities.
EIA Project for the Computational Modelling Master's Degree.
Molecular dynamics simulation and visualization of the Lennard-Jones system utilizing CUDA-enabled GPU's
Lennard Jones system optimization using the Metropolis Hastings and Simulated Annealing algorithms.
First joint project in Python using Git. Molecular dynamic simulation of Argon atoms.
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.
Python implementation of the anisotropic Gay-Berne potential
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