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polymer-simulation

Here are 5 public repositories matching this topic...

RadonPy / RadonPy

RadonPy is a Python library to automate physical property calculations for polymer informatics.

data-science polymer simulation modeling molecular-dynamics molecular-dynamics-simulation lammps rdkit materials-science materials-informatics data-driven-design polymer-simulation high-throughput-computing psi4 polymer-informatics

Updated Dec 26, 2023
Python

RobJMal / Polymer-Dynamics-Simulation-PS10

Final project for PS10 course. Simulates the motion of polymers using an freely-jointed chain model in 1D, 2D, and 3D.

chemistry thermodynamics polymer-simulation harvard-ps10

Updated Dec 14, 2020
MATLAB

rangsimanketkaew / topology_violation

Determine the topology violation in coarse-grained polymer simulation.

python polymer molecular-dynamics lammps multiscale-simulation topology-violation polymer-simulation dpd-simulation tv-count

Updated Jan 1, 2022
Python

wpwonglab / Brownian-Dynamics-Simulation

polymer-simulation brownian-dynamics vonwilllebrand

Updated May 10, 2023
Fortran

Victor515 / MC-simulation-BPTHF

A Polymer Monte Carlo Simulation Program

monte-carlo monte-carlo-simulation polymer-simulation

Updated Sep 12, 2017
MATLAB

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