Electrostatic capacitors play a crucial role as energy storage devices in modern electrical
systems. Energy density, the figure of merit for electrostatic capacitors, is primarily …

Designing polymers with high intrinsic thermal conductivity (TC) is critically important for the
thermal management of organic electronics and photonics. However, this is a challenging …

Polymers are candidate materials for a wide range of sustainability applications such as
carbon capture and energy storage. However, computational polymer discovery lacks …

Molecular generative models based on deep learning have increasingly gained attention for
their ability in de novo polymer design. However, there remains a knowledge gap in the …

Recent advancements in machine learning have revolutionized polymer research, leading
to the swift integration of diverse computational techniques for de novo molecular design. A …

The enumeration of structural isomers of organic molecules using programs capable of
enumerating all structural isomers for a given molecular formula has been expanding the …

In recent years, de novo molecular design using machine learning has made significant
technical progress, but practical applications still face challenges. The primary barrier to …