Machine Learning For Designing Stretchable Carbon Nanostructures

Abstract

In this research study, we employ machine learning algorithms to perform molecular dynamics simulations for graphene-like 3D carbon nanostructures. Custom MATLAB programs and Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) are used to conduct the simulations in this report. The results obtained in this research will accelerate the development of more advanced nanomaterials such as 3D carbon nanostructures by improving the accuracy of the simulations of their material properties.