Molecular simulation in Julia
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Updated
Sep 2, 2024 - Julia
Molecular simulation in Julia
Reimplementation of the code used in my PhD thesis - Charged fluids near interfaces: Integral equation theory
Molecular Dynamic on water using Fortran
Scattering on a Lennard-Jones potential, cross-section computation.
Approximation of computed data with empirical pair potentials
Molecular dynamics simulation and visualization of the Lennard-Jones system utilizing CUDA-enabled GPU's
A 3D interactive program for molecular dynamics
First joint project in Python using Git. Molecular dynamic simulation of Argon atoms.
Fast deterministic all-Python Lennard-Jones particle simulator that utilizes Numba for GPU-accelerated computation.
Lennard Jones system optimization using the Metropolis Hastings and Simulated Annealing algorithms.
EIA Project for the Computational Modelling Master's Degree.
Light program for researching molecules motion with the ability to build graphs of physical quantities.
A molecular dynamics project based on the Lennard-Jones potential
NanoMC is a software that simulates Lennard-Jones fluids inside nanotubes.
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
Statistical 2D modeling by the Molecular Dynamics method allows studying equilibrium states of systems.
⚛️ Molecular Dynamics Simulation: Lennard-Jones and Damped Harmonic Oscillator
Python code to generate Lennard-Jones parameters for combustion and detonation modeling
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