Related papers: Emulating isomerization with two-dimensional Coulo…
We present a general method for determining screened Coulomb parameters in molecular assemblies, in particular organic molecular crystals. This allows us to calculate the interaction parameters used in a generalized Hubbard model…
We examine binary mixtures of superparamagnetic colloidal particles confined to a two-dimensional water-air interface both by real-space experiments and Monte-Carlo computer simulations at high coupling strength. In the simulations, the…
We use trapped atomic ions forming a hybrid Coulomb crystal, and exploit its phonons to study an isolated quantum system composed of a single spin coupled to an engineered bosonic environment. We increase the complexity of the system by…
Two-dimensional ionic liquids with single site anion and cation-neutral dimer are studied by computer simulations and integral equation techniques, with the aim of characterizing differences with single site anion-cation mixtures, and also…
We experimentally study two-dimensional (2D) Coulomb crystals in the "radial-2D" phase of a linear Paul trap. This phase is identified by a 2D ion lattice aligned entirely with the radial plane and is created by imposing a large ratio of…
Cholesteric liquid crystals can exhibit spatial patterns in molecular alignment at interfaces that can be exploited for particle assembly. These patterns emerge from the competition between bulk and surface energies, tunable with the system…
We study a one dimensional Coulomb system, where two charged colloids are neutralized by a collection of point counterions, with global neutrality. Temperature being given, two situations are addressed: the colloids are either kept at fixed…
We use molecular dynamics simulations in two dimensions to investigate the possibility that a core-softened potential can reproduce static and dynamic anomalies found experimentally in liquid water: (i) the increase in specific volume upon…
Quantum simulation - the use of one quantum system to simulate a less controllable one - may provide an understanding of the many quantum systems which cannot be modeled using classical computers. Impressive progress on control and…
Many molecules exhibit multiple conformers that often easily interconvert under thermal conditions. Therefore, single conformations are difficult to isolate which renders the study of their distinct chemical reactivities challenging. We…
Crystallization of a classical two-dimensional one-component plasma (electrons interacting with the Coulomb repulsion in a uniform neutralizing positive background) is investigated with a molecular dynamics simulation. The positional and…
Coulomb crystals of cold trapped ions are a leading platform for the realisation of quantum processors and quantum simulations and, in quantum metrology, for the construction of optical atomic clocks and for fundamental tests of the…
Coulomb interactions that occur in electronic structure calculations are correlated by allowing basis function components of the interacting densities to polarize, thereby reducing the magnitude of the interaction. Exchange integrals of…
Monte Carlo simulation on the crystallization of double crystalline diblock copolymer unravels an intrinsic relationship between block asymmetry and crystallization behaviour. We model crystalline A-B diblock copolymer, wherein the melting…
Ion Coulomb crystals (ICC), formed by atomic ions at low temperatures in radiofrequency and Penning ion traps, are structures that have remarkable properties and many applications. Images of Coulomb crystals are striking and reveal the…
An exponential interaction is constructed so that one-dimensional atoms and chains of atoms mimic the general behavior of their three-dimensional counterparts. Relative to the more commonly used soft-Coulomb interaction, the exponential…
We report the sympathetic cooling and Coulomb crystallization of molecular ions above the surface of an ion-trap chip. N$_2^+$ and CaH$^+$ ions were confined in a surface-electrode radiofrequency ion trap and cooled by the interaction with…
Ion Coulomb crystals are ordered structures formed by laser-cooled ions in traps that are characterized by interparticle distances of several micrometers and energy scales on the order of $\mu$eV. Their crystalline structure emerges from…
This paper shows by computer simulations that some crystalline systems have curves in their thermodynamic phase diagrams, so-called isomorphs, along which structure and dynamics in reduced units are invariant to a good approximation. The…
Classical Molecular Dynamics (MD) simulations are employed as a tool to investigate structural properties of ice crystals under several temperature and pressure conditions. All ice crystal phases are analyzed by means of a computational…