24 citations
2 papers
physics.comp-ph2023★ 2 cited
Edge Dynamics in Iron-Cluster Catalyzed Growth of Single-Walled Carbon Nanotubes Revealed by Molecular Dynamics Simulations based on a Neural Network Potential
Ikuma Kohata, Ryo Yoshikawa, Kaoru Hisama +3
Given the high potential for applications utilizing the unique properties of single-walled carbon nanotubes (SWCNTs), there is considerable enthusiasm for addressing the challenges…
cond-mat.soft2006★ 24 cited
Hybrid Dynamic Density Functional Theory for Polymer Melts and Blends
Takashi Honda, Toshihiro Kawakatsu
We propose a high-speed and accurate hybrid dynamic density functional theory for the computer simulations of the phase separation processes of polymer melts and blends. The propos…