Density Functional Theory (DFT) is one of the most important application of Carbon
Nanotubes (CNTs). Because of the chemical and physical characteristics of carbon, CNTs
play an important role in the field of nanotechnology. The most difficult part of CNT
simulations is DFT calculations that take hours or even days. In this study, a Support Vector
Regression (SVR) model that reduces the atomic coordinate calculation of CNT simulation
duration has been proposed. u, v, and w coordinates which obtained from CNT simulations …