Related papers: Geometric Constraints on Two-electron Reduced Dens…

The transport properties of interacting electrons for which the spin degree of freedom is taken into account are numerically studied for small two dimensional diffusive clusters. On-site electron-electron interactions tend to delocalize the…

Surfaces are at the frontier of every known solid. They provide versatile supports for functional nanostructures and mediate essential physicochemical processes. Being intimately related with 2D materials, interfaces and atomically thin…

We study geometrical aspects of entanglement, with the Hilbert--Schmidt norm defining the metric on the set of density matrices. We focus first on the simplest case of two two-level systems and show that a ``relativistic'' formulation leads…

We consider a set of electrostatic problems relevant for determining the real-space structure and the ground-state energy of a two-dimensional electron liquid subject to smooth external potentials. Three fundamental geometries are…

The field of two-dimensional (2D) materials has expanded to multilayered systems where electronic, optical, and mechanical properties change-often dramatically-with stacking order, thickness, twist, and interlayer spacing [1-5]. For…

We show that the thermodynamic limit of a many-body system can reveal entanglement properties that are hard to detect in finite-size systems -- similar to how phase transitions only sharply emerge in the thermodynamic limit. The resulting…

Uncertainty relations are usually stated as bounds on selected combinations of variances, but the full covariance matrix contains substantially richer information about the geometry of quantum state space and about the operational…

The computational prediction of the structure and stability of hybrid organic-inorganic interfaces provides important insights into the measurable properties of electronic thin film devices, coatings, and catalyst surfaces and plays an…

We present a numerical study of 2D random-bond Potts ferromagnets. The model is studied both below and above the critical value $Q_c=4$ which discriminates between second and first-order transitions in the pure system. Two geometries are…

A previous study of diatomic molecules revealed that variational second-order density matrix theory has serious problems in the dissociation limit when the N-representability is imposed at the level of the usual two-index (P, Q, G) or even…

Restricted Boltzmann machine (RBM) provide a general framework for modeling physical systems, but their behavior is dependent on hyperparameters such as the learning rate, the number of hidden nodes and the form of the threshold function.…

Nanostructures with open shell transition metal or molecular constituents host often strong electronic correlations and are highly sensitive to atomistic material details. This tutorial review discusses method developments and applications…

Since the initial isolation of few-layer graphene, a plethora of two-dimensional atomic crystals has become available, covering almost all known materials types including metals, semiconductors, superconductors, ferro- and antiferromagnets.…

Two-dimensional (2D) materials can host stable, long-range magnetic phases in the presence of underlying magnetic anisotropy. The ability to realize the full potential of 2D magnets necessitates systematic investigation of the role of…

Sufficiently high densities in Bose-Einstein condensates provide favorable conditions for the production of ultralong-range polyatomic molecules consisting of one Rydberg atom and a number of neutral ground state atoms. The chemical binding…

A vast literature on the theory and phenomenology of Two-Higgs-Doublet models (2HDM) exists since long. However, the present situation demands a revisit of some 2HDM properties. Now that a 125 GeV scalar resonance has been discovered at the…

Quantum state tomography is a fundamental task in quantum information science, enabling detailed characterization of correlations, entanglement, and electronic structure in quantum systems. However, its exponential measurement and…

Useful relations describing arbitrary parameters of given quantum systems can be derived from simple physical constraints imposed on the vectors in the corresponding Hilbert space. This is well known and it usually proceeds by partitioning…

Investigation of structure-property relations in chemically and magnetically disordered materials can give rise to interesting physical phenomena. The potential of two-dimensional MXenes as electrodes in supercapacitor applications have…

An important goal of modern condensed matter physics involves the search for states of matter with new emergent properties and desirable functionalities. Although the tools for material design remain relatively limited, notable advances…