A molecular dynamics approach to study the permeation of nanoparticles through lipid bilayer

Scripts useful for running NAMD simulations

A set of LAMMPS simulations for FCC lattice systems, including copper deposition, metal interactions, and GCMC simulations. Perfect for material science exploration!

Molecular Hessians Without Derivatives

Perform molecular dynamics experiments (MD) with NAMD on colab

Análisis de resultados de simulación LAAMPS de dinamica molecular.

This is a brownian dynamics code simulating a spin ice system.

Codes used in Bsc thesis: "Probing the static depinning transition of a crystal/quasicrystal interface"

Bayesian nonparametric inference of ligand binding kinetics from molecular dynamics simulations.

An open-source python library currently under development as a part of a manuscript for the Weir Group at Wesleyan University