In patchy particle systems where there is competition between the self-assembly of finite clusters and liquid-vapour phase separation, reentrant phas…

We show that the information gained in spectroscopic experiments regarding the number and distribution of atomic environments can be used as a valuab…

A new approach to simulating rotational cooling using a direct simulation Monte Carlo (DSMC) method is described and applied to the rotational coolin…

The interaction between charged objects in an electrolyte solution is a fundamental question in soft matter physics. It is well-known that the electr…

Using a combination of Rietveld and RMC refinement of neutron total scattering data, we find that the 10 K structure of zinc(II) isonicotinate shows …

We use variable-temperature (150--300\,K) single-crystal X-ray diffraction to re-examine the interplay between structure and dynamics in the ambient …

Global geometry optimization and time-dependent density functional theory calculations have been used to study the structural evolution and optical p…

We report the mechanical properties of the `giant' negative compressibility material zinc(II) dicyanoaurate, as determined using a combination of sin…

The density matrix renormalization group method is used to investigate the spin-Peierls transition for Heisenberg spins coupled to quantized phonons.…

Functional materials design normally focuses on structurally-ordered systems because disorder is considered detrimental to many important physical pr…

We report the synthesis and structural characterisation of the molecular framework copper(I) hexacyanocobaltate(III), Cu$_3$[Co(CN)$_6$], which we fi…

We construct and solve a classical percolation model with a phase transition that we argue acts as a proxy for the quantum many-body localisation tra…

Molecular dynamics simulations and density functional theory calculations have been used to demonstrate the possibility of preserving high spin state…

Despite its importance in atmospheric science, much remains unknown about the microscopic mechanism of heterogeneous ice nucleation. In this work, we…

Theory is presented to simulate both chronoamperometry and cyclic voltammetry at porous electrodes fabricated by means of electro-deposition around s…

The dynamics of two-dimensional fluids confined within a random matrix of obstacles is investigated using both colloidal model experiments and molecu…

Recent developments in path integral methodology have significantly reduced the computational expense of including quantum mechanical effects in the …

We suggest two metrics for assessing the quality of atomistic configurations of disordered materials, both of which are based on quantifying the orie…

The shift in chemical equilibria due to isotope substitution is often exploited to gain insight into a wide variety of chemical and physical processe…

Near-threshold photodissociation of Br$_2$ from a supersonic beam produces slow bromine atoms that are trapped in the magnetic field minimum formed b…

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