Artificial intelligence (AI) based approaches are beginning to impact several domains of
human life, science and technology. Polymer informatics is one such domain where AI and …

Fiber-reinforced polymer (FRP) composites have gained widespread applications in many
engineering fields, making it imperative to study long-term performance under service …

Polymer adhesion is ubiquitous in both the natural world and human technology. It is also a
complex multiscale phenomenon, such that the solution of adhesion problems requires a …

During the carbonization process of raw polymer precursors, graphitic structures can evolve.
The presence of these graphitic structures affects mechanical properties of the carbonized …

The methodology development and applications of ReaxFF molecular dynamics (ReaxFF
MD) in unraveling the complex reactions and kinetics for pyrolysis and oxidation of organic …

This state‐of‐the‐art review is geared toward elucidating the molecular understanding of the
carbon‐based flame‐retardant mechanisms for polymers via holistic characterization …

Molecular simulations based on reactive force-fields (ReaxFF) have been applied as a
powerful tool for exploring the pyrolysis process of complex carbonaceous materials. It can …

Predictive computational modeling of polymer materials is necessary for the efficient design
of composite materials and the corresponding processing methods. Molecular dynamics …

Irradiation of polymer films by a CO2 infrared laser under ambient conditions converts the
polymer into porous graphene or laser-induced graphene (LIG). Here, we simulate the …

Despite decades of dominance in separation technology, progress in the design and
development of high-performance polymer-based membranes has been incremental …