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
exploration of MD simulations in MATLAB using the Verlet integrator
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.
Lennard Jones system optimization using the Metropolis Hastings and Simulated Annealing algorithms.
Python code to generate Lennard-Jones parameters for combustion and detonation modeling
Python package for calculating XDM (Exchange-hole Dipole Moment) multipole moments using multiple atoms-in-molecules (AIM) partitioning schemes.
First joint project in Python using Git. Molecular dynamic simulation of Argon atoms.
LJ Fusion is a high-performance Lennard-Jones molecular dynamics simulator with CUDA acceleration, real-time Qt5/OpenGL visualization, and CLI thermodynamic tools. Supports Velocity Verlet, NVE/NVT ensembles, and multiple boundary conditions for studying interactions, phase transitions, and statistical mechanics.
A molecular dynamics project based on the Lennard-Jones potential
A portfolio of the work done during COMP 260 during S17 at Wesleyan University
Wolfram language coding examples
Light program for researching molecules motion with the ability to build graphs of physical quantities.
Functional prototype of a web platform for Molecular Dynamics (MD) and Monte Carlo (MC) simulations oriented to computational physics, theoretical chemistry and materials science.
Reimplementation of the code used in my PhD thesis - Charged fluids near interfaces: Integral equation theory
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