Phase field crystal (PFC) theory is extensively used for modeling the phase behavior,
structure, thermodynamics, and other related properties of solids. PFC theory can be derived …

Modern theories of melting of two-dimensional systems are discussed that are mainly based
on the concepts of the Berezinskii–Kosterlitz–Thouless (BKT) theory of phase transitions in …

Predicting the functional properties of many molecular systems relies on understanding how
atomistic interactions give rise to macroscale observables. However, current attempts to …

The persistence of a transition state structure in systems driven by time-dependent
environments allows the application of modern reaction rate theories to solution-phase and …

The properties of a macroscopic assembly of weakly repulsive bosons at zero temperature
are well described by Gross-Pitaevskii mean-field theory. According to this formalism the …

Systems featuring hard-core–soft-shell repulsive pair potentials can form ordered phases,
where particles organize themselves in aggregates with nontrivial geometries. The dimer …

We show that one can employ well-established numerical continuation methods to efficiently
calculate the phase diagram for thermodynamic systems described by a suitable free energy …

We investigate the formation of cluster crystals with multiply occupied lattice sites on a
spherical surface in systems of ultra-soft particles interacting via repulsive, bounded pair …

Two-dimensional melting is an important phase behavior, but the impact of deformability on
the solid–liquid transition remains an open question. To address this, we conducted a …

Unveiling the principles behind self-organization in quantum systems is of paramount
importance, both intrinsically and practically, in view of foreseeable technological …