In this article we describe the crystallization conjecture. It states that, in appropriate physical
conditions, interacting particles always place themselves into periodic configurations …

The description of solids at a microscopic level is complex, involving the interaction of a
huge number of its constituents, such as ions or electrons. It is impossible to solve the …

Thin-film materials, normally considered metals, can exhibit behavior that is very
nonmetallic. There is an increasing body of experimental information that this phenomenon …

First-principles calculations for carbyne under strain predict that the Peierls transition from
symmetric cumulene to broken-symmetry polyyne structure is enhanced as the material is …

A number of interesting features of the ground states of quantum spin chains are analyzed
with the help of a functional integral representation of the system's equilibrium states …

Atomic carbon chains have raised interest for their possible applications as graphene
interconnectors as the thinnest nanowires; however, they are hard to synthesize and …

Bonding concepts originating in chemistry are surveyed from a condensed matter
perspective, beginning around 1850 with'valence'and the word'bond'itself. The analysis of …

Recent production of long carbyne chains, concurrent with advances in the synthesis of pure
boron fullerenes and atom-thin layers, motivates an exploration of possible one-dimensional …

We review recent advances in the theoretical modelling of π-conjugated polymers. Our
emphasis is on quasi-one-dimensional π-electron models that include both electron-phonon …

We formulate and implement Cyclic Density Functional Theory (Cyclic DFT)—a self-
consistent first principles simulation method for nanostructures with cyclic symmetries. Using …