Polymer sequence engineering is emerging as a potential tool to modulate material
properties. Here, we employ a combination of a genetic algorithm (GA) and atomistic …

The key role of chain flexibility in polymer glass formation has long been appreciated, but a
fundamental understanding of how chain stiffness influences polymer glass formation …

Efficient design on the molecular and crystal levels is an urgent need to accelerate the
development of energetic materials (EMs), and the performance analysis of microstructures …

The influence of the monomer chemical structure and architecture on polymer glass
formation has been long appreciated to be dominated by two principal molecular factors …

We study the viscoelastic response of amorphous polymers using theory and simulations. By
accounting for internal stresses and considering instantaneous normal modes (INMs) within …

The boson peak is a largely unexplained excitation found universally in the terahertz
vibrational spectra of disordered systems; the so-called fracton is a vibrational excitation …

The excess low-frequency vibrational spectrum, called boson peak, and non-affine elastic
response are the most important particularities of glasses. Herein, the vibrational and …

Colloidal gels exhibit solid-like behavior at vanishingly small fractions of solids, owing to
ramified space-spanning networks that form due to particle–particle interactions. These …

Coarse-grained (CG) non-equilibrium molecular dynamics simulation was used to study the
thermal conductivity of a cross-linked network composed of epoxy resin (E51) and polyether …

Machine learning methods provide an advanced means for understanding inherent patterns
within large and complex datasets. Here, we employ the principal component analysis …