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Open lattices are characterized by low volume-fraction arrangements of building blocks, low coordination number, and open spaces between building blocks. The self-assembly of these lattices faces the challenge of mechanical instability due…

Many problems in materials science and biology involve particles interacting with strong, short-ranged bonds, that can break and form on experimental timescales. Treating such bonds as constraints can significantly speed up sampling their…

The quasi-local notion of an isolated horizon is employed to study the entropy of black holes without any particular symmetry in loop quantum gravity. The idea of characterizing the shape of a horizon by a sequence of local areas is…

We present a new numerical scheme to study systems of non-convex, irregular, and punctured particles in an efficient manner. We employ this method to analyze regular packings of odd-shaped bodies, not only from a nanoparticle but also both…

Patchy particles have proven to be a prominent model for studying the self-assembly behavior of various systems, ranging from finite clusters to bulk crystal assemblies, and from synthetic colloidal particles to viruses. The patchy particle…

Mutually repelling particles form spontaneously ordered clusters when forced into confinement. The clusters may adopt similar spatial arrangements even if the underlying particle interactions are contrastingly different. Here we demonstrate…

Trajectories of a polarizable species (atoms or molecules) in the vicinity of a negatively charged nanoparticle (at a floating potential) are considered. The atoms are pulled into regions of strong electric field by polarization forces. The…

In this paper we address the question: where in configuration space is the entanglement between two particles located? We present a thought-experiment, equally applicable to discrete or continuous-variable systems, in which one or both…

We present a new numerical model to simulate settling trajectories of discretized individual or a mixture of particles of different geometrical shapes in a quiescent fluid and their flow trajectories in a flowing fluid. Simulations unveiled…

We consider several patchy particle models that have been proposed in literature and we investigate their candidate crystal structures in a systematic way. We compare two different algorithms for predicting crystal structures: (i) an…

This chapter is devoted to the computation of equilibrium (thermodynamic) properties of quantum systems. In particular, we will be interested in the situation where the interaction between particles is so strong that it cannot be treated as…

The ground-state entanglement of a single particle of the N-harmonium system (i.e., a completely-integrable model of $N$ particles where both the confinement and the two-particle interaction are harmonic) is shown to be analytically…

We consider a simple model of maghemite nanoparticles and study their magnetic properties using Monte Carlo methods. The particles have a spherical geometry with diameters ranging from 3 nm to 8 nm. The interior of the particles consists of…

The effect of surface roughness on the structure of liquid crystalline fluids near solid substrates is studied by Monte Carlo simulations. The liquid crystal is modelled as a fluid of soft ellipsoidal molecules and the substrate is modelled…

A hierarchy of equations for equilibrium reduced density matrices obtained earlier is used to consider systems of spinless bosons bound by forces of gravity alone. The systems are assumed to be at absolute zero of temperature under…

The finiteness of black hole entropy suggest that spacetime is fundamentally discrete, and hints at an underlying relationship between geometry and "information". The foundation of this relationship is yet to be uncovered, but should…

We study the entropy of the black hole with torsion using the covariant form of the partition function. The regularization of infinities appearing in the semiclassical calculation is shown to be consistent with the grand canonical boundary…

In contrast to entropy, which increases monotonically, the "complexity" or "interestingness" of closed systems seems intuitively to increase at first and then decrease as equilibrium is approached. For example, our universe lacked complex…

Consider an arbitrary local quantum field theory with a gap or an arbitrary gapless free theory. We consider states in such a theory, that describe two entangled particles localized in disjoint regions of space. We show that in such a…

We investigate the entanglement for a model of a particle moving in the lattice (many-body system). The interaction between the particle and the lattice is modelled using Hooke's law. The Feynman path integral approach is applied to compute…