1 citations · 1 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2021
Machine Learning-Assisted Exploration of Thermally Conductive Polymers Based on High-Throughput Molecular Dynamics Simulations
Ruimin Ma, Hanfeng Zhang, Jiaxin Xu +4
Finding amorphous polymers with higher thermal conductivity is important, as they are ubiquitous in heat transfer applications. With recent progress in material informatics, machin…
cond-mat.mtrl-sci2020★ 1 cited
Extremely High Thermal Conductivity of Aligned Polyacetylene Predicted using First-Principles-Informed United-Atom Force Field
Teng Zhang, Jiaxin Xu, Tengfei Luo
Molecular simulations of polymer rely on accurate force fields to describe the inter-atomic interactions. In this work, we use first-principles density functional theory (DFT) calc…